(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol

C24H38N10O2 — CID 159905299

IUPAC(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN1c1cc(NC2CC2)nc(N)n1.C[C@H]1C[C@@H](O)CN1c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/2C12H19N5O/c2*1-7-4-9(18)6-17(7)11-5-10(14-8-2-3-8)15-12(13)16-11/h2*5,7-9,18H,2-4,6H2,1H3,(H3,13,14,15,16)/t2*7-,9+/m10/s1
InChIKeyNWMNOFXIJIQNSF-YIQFPBIRSA-N
MW498.64 g/mol
LogP1.19
Rot. Bonds6

About (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol

(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol (PubChem CID 159905299) has the molecular formula C24H38N10O2 and a molecular weight of 498.64 g/mol. Its IUPAC name is (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
PubChem CID159905299
Molecular FormulaC24H38N10O2
Molecular Weight498.64 g/mol
Exact Mass498.32
IUPAC Name(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN1c1cc(NC2CC2)nc(N)n1.C[C@H]1C[C@@H](O)CN1c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/2C12H19N5O/c2*1-7-4-9(18)6-17(7)11-5-10(14-8-2-3-8)15-12(13)16-11/h2*5,7-9,18H,2-4,6H2,1H3,(H3,13,14,15,16)/t2*7-,9+/m10/s1
InChIKeyNWMNOFXIJIQNSF-YIQFPBIRSA-N
XLogP1.19
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500498.64
LogP ≤ 51.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;6-(3,3-difluoropyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 122456401
[(2S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol;6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 160729314
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 160745631
[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;6-(3,3-difluoropyrrolidin-1-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 161802835
1-[4-(Oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol
CID 91261093
(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
CID 122456343
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 122456358
1-[2-Amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 122456359
(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 122456372
(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
CID 122456444
ethane;1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 143899643
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide;(3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 157616992

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol?
The IUPAC name of (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol (CID 159905299) is (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol is C[C@@H]1C[C@H](O)CN1c1cc(NC2CC2)nc(N)n1.C[C@H]1C[C@@H](O)CN1c1cc(NC2CC2)nc(N)n1.
What is the InChIKey of (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol?
The InChIKey is NWMNOFXIJIQNSF-YIQFPBIRSA-N. The full InChI is InChI=1S/2C12H19N5O/c2*1-7-4-9(18)6-17(7)11-5-10(14-8-2-3-8)15-12(13)16-11/h2*5,7-9,18H,2-4,6H2,1H3,(H3,13,14,15,16)/t2*7-,9+/m10/s1.
What are the key properties of (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol?
(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol has a molecular weight of 498.64 g/mol, XLogP of 1.19, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 159905299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).