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

C12H19N5O — CID 122456343

IUPAC(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN1c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C12H19N5O/c1-7-4-9(18)6-17(7)11-5-10(14-8-2-3-8)15-12(13)16-11/h5,7-9,18H,2-4,6H2,1H3,(H3,13,14,15,16)/t7-,9+/m1/s1
InChIKeyCGLRYAVYYNNYDD-APPZFPTMSA-N
MW249.32 g/mol
LogP0.59
Rot. Bonds3

About (3S,5R)-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 (PubChem CID 122456343) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (3S,5R)-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
PubChem CID122456343
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN1c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C12H19N5O/c1-7-4-9(18)6-17(7)11-5-10(14-8-2-3-8)15-12(13)16-11/h5,7-9,18H,2-4,6H2,1H3,(H3,13,14,15,16)/t7-,9+/m1/s1
InChIKeyCGLRYAVYYNNYDD-APPZFPTMSA-N
XLogP0.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-2-(4-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585776
(R)-2-(2-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54586765
(3R,5R)-5-(aminomethyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol dihydrochloride
CID 145912990
(3R,5R)-5-(aminomethyl)-1-(6-aminopyrimidin-4-yl)pyrrolidin-3-ol dihydrochloride
CID 145915501
(3R,5R)-5-((dimethylamino)methyl)-1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 165738809
(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50978922
6-N-cyclopropyl-4-N-methyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 95122020
2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 95128680
6-N-(cyclopropylmethyl)-4-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-4-N-methylpyrimidine-4,6-diamine
CID 128979215
2-[[4-(Hydroxymethyl)-1-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 168457007
2-[[6-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 171359940
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456345

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-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 (CID 122456343) is (3S,5R)-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?
The canonical SMILES for (3S,5R)-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.
What is the InChIKey of (3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol?
The InChIKey is CGLRYAVYYNNYDD-APPZFPTMSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7-4-9(18)6-17(7)11-5-10(14-8-2-3-8)15-12(13)16-11/h5,7-9,18H,2-4,6H2,1H3,(H3,13,14,15,16)/t7-,9+/m1/s1.
What are the key properties of (3S,5R)-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 has a molecular weight of 249.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 122456343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).