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

C12H19N5O — CID 122456444

IUPAC(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
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+/m0/s1
InChIKeyCGLRYAVYYNNYDD-IONNQARKSA-N
MW249.32 g/mol
LogP0.59
Rot. Bonds3

About (3R,5S)-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 122456444) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
PubChem CID122456444
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(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
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+/m0/s1
InChIKeyCGLRYAVYYNNYDD-IONNQARKSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol (CID 122456444) is (3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol?
The canonical SMILES for (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.
What is the InChIKey of (3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol?
The InChIKey is CGLRYAVYYNNYDD-IONNQARKSA-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+/m0/s1.
What are the key properties of (3R,5S)-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 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 (3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 122456444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).