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

C12H20N4O — CID 136979137

IUPAC4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C(CN)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-14-11(6-12(17)15-10)16(2)9(7-13)8-4-5-8/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17)
InChIKeyPEPSSRUWLPAYBW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.51
Rot. Bonds5

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

4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136979137) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136979137
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C(CN)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-14-11(6-12(17)15-10)16(2)9(7-13)8-4-5-8/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17)
InChIKeyPEPSSRUWLPAYBW-UHFFFAOYSA-N
XLogP0.51
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979257
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972739
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanethioamide
CID 136973145

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136979137) is 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(C)C(CN)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is PEPSSRUWLPAYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-14-11(6-12(17)15-10)16(2)9(7-13)8-4-5-8/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).