2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one

C11H17N3O — CID 102819772

IUPAC2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
SMILESCc1cc(=O)n(C[C@@H]2CCCN2)c(C)n1
InChIInChI=1S/C11H17N3O/c1-8-6-11(15)14(9(2)13-8)7-10-4-3-5-12-10/h6,10,12H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyPLYQSBGVRNDUHV-JTQLQIEISA-N
MW207.28 g/mol
LogP0.61
Rot. Bonds2

About 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one

2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one (PubChem CID 102819772) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
PubChem CID102819772
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
SMILESCc1cc(=O)n(C[C@@H]2CCCN2)c(C)n1
InChIInChI=1S/C11H17N3O/c1-8-6-11(15)14(9(2)13-8)7-10-4-3-5-12-10/h6,10,12H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyPLYQSBGVRNDUHV-JTQLQIEISA-N
XLogP0.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136816577
N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45496937
N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide
CID 137301598
2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide
CID 137316163
6-(Difluoromethyl)-3-[(pyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126857697
N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
CID 127267061
4-(difluoromethyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136103098
2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103118

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one (CID 102819772) is 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one is Cc1cc(=O)n(C[C@@H]2CCCN2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one?
The InChIKey is PLYQSBGVRNDUHV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-11(15)14(9(2)13-8)7-10-4-3-5-12-10/h6,10,12H,3-5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one?
2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 102819772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).