4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine

C17H22N4 — CID 112879574

IUPAC4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(NC(C)CC)nc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-4-11-18-15-12-16(19-13(3)5-2)21-17(20-15)14-9-7-6-8-10-14/h4,6-10,12-13H,1,5,11H2,2-3H3,(H2,18,19,20,21)
InChIKeyRDZMUVDMGSNOFZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.95
Rot. Bonds7

About 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine

4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112879574) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112879574
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(NC(C)CC)nc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-4-11-18-15-12-16(19-13(3)5-2)21-17(20-15)14-9-7-6-8-10-14/h4,6-10,12-13H,1,5,11H2,2-3H3,(H2,18,19,20,21)
InChIKeyRDZMUVDMGSNOFZ-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
CID 854382
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine (CID 112879574) is 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(NC(C)CC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is RDZMUVDMGSNOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-11-18-15-12-16(19-13(3)5-2)21-17(20-15)14-9-7-6-8-10-14/h4,6-10,12-13H,1,5,11H2,2-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).