2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one

C16H22N4O — CID 136925145

IUPAC2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESNCCCCCCNc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O/c17-10-6-1-2-7-11-18-16-19-14(12-15(21)20-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11,17H2,(H2,18,19,20,21)
InChIKeyDMHYOYZDPDQIAB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.37
Rot. Bonds8

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

2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136925145) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136925145
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESNCCCCCCNc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O/c17-10-6-1-2-7-11-18-16-19-14(12-15(21)20-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11,17H2,(H2,18,19,20,21)
InChIKeyDMHYOYZDPDQIAB-UHFFFAOYSA-N
XLogP2.37
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.37
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-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136925187
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135443433
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
2-(6-aminohexylamino)-4-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136925294
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one
CID 135433872
2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 137271554
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
4-N-(3-aminopropyl)-6-phenylpyrimidine-2,4-diamine
CID 130209355
2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136741034
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one (CID 136925145) is 2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one is NCCCCCCNc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is DMHYOYZDPDQIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-10-6-1-2-7-11-18-16-19-14(12-15(21)20-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11,17H2,(H2,18,19,20,21).
What are the key properties of 2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one?
2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 286.38 g/mol, XLogP of 2.37, 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-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136925145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).