5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one

C10H18N4O — CID 136977396

IUPAC5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(CC)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O/c1-3-7(4-2)5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyNPDUVYNPQFNIBR-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.20
Rot. Bonds5

About 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one

5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one (PubChem CID 136977396) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
PubChem CID136977396
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(CC)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O/c1-3-7(4-2)5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyNPDUVYNPQFNIBR-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
3-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-5-methylhexanoic acid
CID 136959119
5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136961736
5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136912678
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one
CID 136974646

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one (CID 136977396) is 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one is CCC(CC)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is NPDUVYNPQFNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-7(4-2)5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).