4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one

C13H24N4O — CID 136989504

IUPAC4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CCC(N)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-5-11-15-12(8-13(18)16-11)17(4)7-6-10(14)9(2)3/h8-10H,5-7,14H2,1-4H3,(H,15,16,18)
InChIKeyHWFUPLYVVMNQDE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.14
Rot. Bonds6

About 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one

4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136989504) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136989504
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CCC(N)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-5-11-15-12(8-13(18)16-11)17(4)7-6-10(14)9(2)3/h8-10H,5-7,14H2,1-4H3,(H,15,16,18)
InChIKeyHWFUPLYVVMNQDE-UHFFFAOYSA-N
XLogP1.14
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136979021
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009852
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanethioamide
CID 136973145
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972739
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
CID 114770229
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136989504) is 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(C)CCC(N)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is HWFUPLYVVMNQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11-15-12(8-13(18)16-11)17(4)7-6-10(14)9(2)3/h8-10H,5-7,14H2,1-4H3,(H,15,16,18).
What are the key properties of 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136989504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).