5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C9H14N4O2 — CID 136869190

IUPAC5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c1-9(15)2-3-13(4-9)7-6(10)8(14)12-5-11-7/h5,15H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyDXJKSMGJNNDJPO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.69
Rot. Bonds1

About 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136869190) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136869190
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c1-9(15)2-3-13(4-9)7-6(10)8(14)12-5-11-7/h5,15H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyDXJKSMGJNNDJPO-UHFFFAOYSA-N
XLogP-0.69
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766522
5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819388
5-bromo-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869191
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869196
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136869197
5-chloro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869198
5-amino-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900934
5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900943
5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976061
5-amino-4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136976067
5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136976072

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136869190) is 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CC1(O)CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DXJKSMGJNNDJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(15)2-3-13(4-9)7-6(10)8(14)12-5-11-7/h5,15H,2-4,10H2,1H3,(H,11,12,14).
What are the key properties of 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136869190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).