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

C10H18N4O — CID 136757122

IUPAC4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CCN)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-3-10(2,4-5-11)14-8-6-9(15)13-7-12-8/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyQGROLSIQOVKMLE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds5

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

4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136757122) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136757122
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CCN)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-3-10(2,4-5-11)14-8-6-9(15)13-7-12-8/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyQGROLSIQOVKMLE-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-Amino-2-(4-amino-4-methylpiperidin-1-yl)-3-methylpyrimidin-4-one
CID 175829400
6-Amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one
CID 175829454
3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136671881
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731500
4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734049
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136757122) is 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is CCC(C)(CCN)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is QGROLSIQOVKMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-10(2,4-5-11)14-8-6-9(15)13-7-12-8/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136757122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).