3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one

C9H15N3O — CID 18334352

IUPAC3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one
SMILESCCn1c(C)nc(NC)c(C)c1=O
InChIInChI=1S/C9H15N3O/c1-5-12-7(3)11-8(10-4)6(2)9(12)13/h10H,5H2,1-4H3
InChIKeyQKHSYMRXBMVNDP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.92
Rot. Bonds2

About 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one

3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one (PubChem CID 18334352) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one
PubChem CID18334352
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one
SMILESCCn1c(C)nc(NC)c(C)c1=O
InChIInChI=1S/C9H15N3O/c1-5-12-7(3)11-8(10-4)6(2)9(12)13/h10H,5H2,1-4H3
InChIKeyQKHSYMRXBMVNDP-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135849709
2-methyl-6-oxo-4-(propylamino)-1H-pyrimidine-5-carbonitrile
CID 136078496
4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
6-chloro-2,5-dimethyl-3-ethyl-4(3H)-pyrimidinone
CID 15058927
2-Ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334338
5-Ethyl-2,3-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334367
6-(Ethylamino)-2,3,5-trimethylpyrimidin-4-one
CID 18334378
6-[Di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one
CID 18719748
2,5-dimethyl-4-(methylamino)-1H-pyrimidin-6-one
CID 135682069
4-[di(propan-2-yl)amino]-2,5-dimethyl-1H-pyrimidin-6-one
CID 136023885
4-(ethylamino)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136081902
6-[(Cyclopropylmethyl)amino]-2,5-dimethyl-4-pyrimidinol
CID 136166768

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one?
The IUPAC name of 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one (CID 18334352) is 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one is CCn1c(C)nc(NC)c(C)c1=O.
What is the InChIKey of 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one?
The InChIKey is QKHSYMRXBMVNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-12-7(3)11-8(10-4)6(2)9(12)13/h10H,5H2,1-4H3.
What are the key properties of 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one?
3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one is sourced from PubChem (CID 18334352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).