4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one

C11H20N4O — CID 136978373

IUPAC4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCCC(CN)Nc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H20N4O/c1-3-5-8(7-12)13-10-6-11(16)15-9(4-2)14-10/h6,8H,3-5,7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyRURVHQXVRXLPIO-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.87
Rot. Bonds6

About 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one

4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136978373) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136978373
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCCC(CN)Nc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H20N4O/c1-3-5-8(7-12)13-10-6-11(16)15-9(4-2)14-10/h6,8H,3-5,7,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyRURVHQXVRXLPIO-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 137016467
4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 137008677
2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949432
2-ethyl-4-(pent-4-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136977106
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 137008661
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136976280
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136974890
4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136731501
4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972721
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one (CID 136978373) is 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one is CCCC(CN)Nc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is RURVHQXVRXLPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-5-8(7-12)13-10-6-11(16)15-9(4-2)14-10/h6,8H,3-5,7,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).