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

C10H18N4O — CID 137008677

IUPAC4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)CCN)cc(=O)[nH]1
InChIInChI=1S/C10H18N4O/c1-3-8-13-9(6-10(15)14-8)12-7(2)4-5-11/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyZYNHZOCLLAUWCQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.48
Rot. Bonds5

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

4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137008677) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
PubChem CID137008677
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)CCN)cc(=O)[nH]1
InChIInChI=1S/C10H18N4O/c1-3-8-13-9(6-10(15)14-8)12-7(2)4-5-11/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyZYNHZOCLLAUWCQ-UHFFFAOYSA-N
XLogP0.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(pent-4-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136977106
4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136978373
2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949432
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136974890
2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 137016467
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136975120
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
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
4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 137008661
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one (CID 137008677) is 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC(C)CCN)cc(=O)[nH]1.
What is the InChIKey of 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is ZYNHZOCLLAUWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-8-13-9(6-10(15)14-8)12-7(2)4-5-11/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).