2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one

C13H24N4O — CID 136925187

IUPAC2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(NCCCCCCN)n1
InChIInChI=1S/C13H24N4O/c1-10(2)11-9-12(18)17-13(16-11)15-8-6-4-3-5-7-14/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVCLFVLZTWWZPHD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.82
Rot. Bonds8

About 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one

2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136925187) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136925187
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(NCCCCCCN)n1
InChIInChI=1S/C13H24N4O/c1-10(2)11-9-12(18)17-13(16-11)15-8-6-4-3-5-7-14/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVCLFVLZTWWZPHD-UHFFFAOYSA-N
XLogP1.82
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-hydroxypentylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780006
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988
2-(6-aminohexylamino)-4-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136925294
2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
CID 136925145
2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779642
2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780162
(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
CID 135553588
2-(4-fluoroanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136740970
N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136925187) is 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(NCCCCCCN)n1.
What is the InChIKey of 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is VCLFVLZTWWZPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)11-9-12(18)17-13(16-11)15-8-6-4-3-5-7-14/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136925187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).