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

C12H19N5O — CID 122456403

IUPAC[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESNc1nc(NC2CC2)cc(N2CCC(CO)C2)n1
InChIInChI=1S/C12H19N5O/c13-12-15-10(14-9-1-2-9)5-11(16-12)17-4-3-8(6-17)7-18/h5,8-9,18H,1-4,6-7H2,(H3,13,14,15,16)
InChIKeyNTGVVPNXDVNNOO-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.45
Rot. Bonds4

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

[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 122456403) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID122456403
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESNc1nc(NC2CC2)cc(N2CCC(CO)C2)n1
InChIInChI=1S/C12H19N5O/c13-12-15-10(14-9-1-2-9)5-11(16-12)17-4-3-8(6-17)7-18/h5,8-9,18H,1-4,6-7H2,(H3,13,14,15,16)
InChIKeyNTGVVPNXDVNNOO-UHFFFAOYSA-N
XLogP0.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Adriforant
CID 24745335
(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
[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 500507
[4-Amino-1-(pyrimidin-2-YL)pyrrolidin-3-YL]methanol
CID 110202608
4-N-(cyclopropylmethyl)-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91028484
(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50978922
2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 95128680
6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 124735336
2-[[4-(Hydroxymethyl)-1-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 168457007
2-[[2-Amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 171359916
4-N-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91003699

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 122456403) is [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is Nc1nc(NC2CC2)cc(N2CCC(CO)C2)n1.
What is the InChIKey of [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is NTGVVPNXDVNNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-12-15-10(14-9-1-2-9)5-11(16-12)17-4-3-8(6-17)7-18/h5,8-9,18H,1-4,6-7H2,(H3,13,14,15,16).
What are the key properties of [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 249.32 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 122456403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).