(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C11H17N5O — CID 122456358

IUPAC(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNc1nc(NC2CC2)cc(N2CC[C@H](O)C2)n1
InChIInChI=1S/C11H17N5O/c12-11-14-9(13-7-1-2-7)5-10(15-11)16-4-3-8(17)6-16/h5,7-8,17H,1-4,6H2,(H3,12,13,14,15)/t8-/m0/s1
InChIKeyGWAQHSYEJAYGOZ-QMMMGPOBSA-N
MW235.29 g/mol
LogP0.20
Rot. Bonds3

About (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol

(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 122456358) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID122456358
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNc1nc(NC2CC2)cc(N2CC[C@H](O)C2)n1
InChIInChI=1S/C11H17N5O/c12-11-14-9(13-7-1-2-7)5-10(15-11)16-4-3-8(17)6-16/h5,7-8,17H,1-4,6H2,(H3,12,13,14,15)/t8-/m0/s1
InChIKeyGWAQHSYEJAYGOZ-QMMMGPOBSA-N
XLogP0.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 122456347
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80919413
(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
CID 50968139
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 24745834
4-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80932012
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 68551068
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 95870446

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 122456358) is (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol is Nc1nc(NC2CC2)cc(N2CC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is GWAQHSYEJAYGOZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O/c12-11-14-9(13-7-1-2-7)5-10(15-11)16-4-3-8(17)6-16/h5,7-8,17H,1-4,6H2,(H3,12,13,14,15)/t8-/m0/s1.
What are the key properties of (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 235.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 122456358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).