1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol

C9H14N4O — CID 127008831

IUPAC1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(c2ncncc2N)CC1O
InChIInChI=1S/C9H14N4O/c1-6-3-13(4-8(6)14)9-7(10)2-11-5-12-9/h2,5-6,8,14H,3-4,10H2,1H3
InChIKeyXWMROVCTSCNBAK-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.12
Rot. Bonds1

About 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol

1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol (PubChem CID 127008831) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol
PubChem CID127008831
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(c2ncncc2N)CC1O
InChIInChI=1S/C9H14N4O/c1-6-3-13(4-8(6)14)9-7(10)2-11-5-12-9/h2,5-6,8,14H,3-4,10H2,1H3
InChIKeyXWMROVCTSCNBAK-UHFFFAOYSA-N
XLogP-0.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol
CID 130949550
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine
CID 79916753
4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-5-amine
CID 102742862
1-(5-aminopyrimidin-4-yl)piperidine-3-carboxamide
CID 79910682
1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131140975
1-(3-amino-5-methyl-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114677696
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420
[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 140653092
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol (CID 127008831) is 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol is CC1CN(c2ncncc2N)CC1O.
What is the InChIKey of 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is XWMROVCTSCNBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-3-13(4-8(6)14)9-7(10)2-11-5-12-9/h2,5-6,8,14H,3-4,10H2,1H3.
What are the key properties of 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 194.24 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 127008831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).