4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one

C11H20N4O — CID 136817750

IUPAC4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)C(N)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O/c1-3-8(4-2)9(12)6-13-10-5-11(16)15-7-14-10/h5,7-9H,3-4,6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyWBXFPTINBKHWQV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.95
Rot. Bonds6

About 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one

4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136817750) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136817750
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)C(N)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O/c1-3-8(4-2)9(12)6-13-10-5-11(16)15-7-14-10/h5,7-9H,3-4,6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyWBXFPTINBKHWQV-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713910
3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959349
4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136956783
4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137003223
4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755
5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid
CID 137015828
4-(methylamino)-1H-pyrimidin-6-one
CID 135481447
4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one
CID 166257254
4-[(1-ethylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857200
2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959337
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956412

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one (CID 136817750) is 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one is CCC(CC)C(N)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WBXFPTINBKHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-8(4-2)9(12)6-13-10-5-11(16)15-7-14-10/h5,7-9H,3-4,6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one?
4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136817750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).