4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one

C10H18N4O — CID 136848631

IUPAC4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)C(CCN)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-7(2)8(3-4-11)14-9-5-10(15)13-6-12-9/h5-8H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyRBRUVQVDWBVARR-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.56
Rot. Bonds5

About 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one

4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136848631) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136848631
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)C(CCN)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-7(2)8(3-4-11)14-9-5-10(15)13-6-12-9/h5-8H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyRBRUVQVDWBVARR-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
CID 145268943
6-(Cyclopentylamino)-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160401
2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135474189
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136848631) is 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is CC(C)C(CCN)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is RBRUVQVDWBVARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)8(3-4-11)14-9-5-10(15)13-6-12-9/h5-8H,3-4,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136848631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).