4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one

C10H17N3O — CID 135703346

IUPAC4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(CN(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-7(2)10-11-8(6-13(3)4)5-9(14)12-10/h5,7H,6H2,1-4H3,(H,11,12,14)
InChIKeyKQKKXDBKFANNKH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.95
Rot. Bonds3

About 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135703346) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135703346
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(CN(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-7(2)10-11-8(6-13(3)4)5-9(14)12-10/h5,7H,6H2,1-4H3,(H,11,12,14)
InChIKeyKQKKXDBKFANNKH-UHFFFAOYSA-N
XLogP0.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-6-methyl-4-pyrimidinol
CID 135444498
2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-Cyclopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135416704
6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
2-(2-aminopropan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136103406
2,6-di(propan-2-yl)pyrimidin-4(3H)-one
CID 135631190
2-(Aminomethyl)-6-methylpyrimidin-4(3H)-one
CID 135714975
2-Cyclopropyl-6-methylpyrimidin-4-ol
CID 135844179
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
6-(1-azepanylmethyl)-2-isopropyl-4(3H)-pyrimidinone
CID 136046577

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 135703346) is 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(CN(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KQKKXDBKFANNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10-11-8(6-13(3)4)5-9(14)12-10/h5,7H,6H2,1-4H3,(H,11,12,14).
What are the key properties of 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135703346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).