4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one

C12H19N3O — CID 137009729

IUPAC4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)CC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-3-10-13-11(7-12(16)14-10)15(4-2)8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyCAODMUSJUZYHIB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds5

About 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137009729) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137009729
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)CC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-3-10-13-11(7-12(16)14-10)15(4-2)8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyCAODMUSJUZYHIB-UHFFFAOYSA-N
XLogP1.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957917
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
4-[cyclopropylmethyl(propyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957507
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978140
2-[cyclopropylmethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958479
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 137009729) is 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CC)CC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is CAODMUSJUZYHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10-13-11(7-12(16)14-10)15(4-2)8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).