4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine

C18H21N5 — CID 69314565

IUPAC4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine
SMILESCCCCc1ncc(-c2ccnc(Nc3ccccc3)n2)n1C
InChIInChI=1S/C18H21N5/c1-3-4-10-17-20-13-16(23(17)2)15-11-12-19-18(22-15)21-14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,21,22)
InChIKeyIGGCHNZPPVTCLQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.96
Rot. Bonds6

About 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine

4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine (PubChem CID 69314565) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine
PubChem CID69314565
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine
SMILESCCCCc1ncc(-c2ccnc(Nc3ccccc3)n2)n1C
InChIInChI=1S/C18H21N5/c1-3-4-10-17-20-13-16(23(17)2)15-11-12-19-18(22-15)21-14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,21,22)
InChIKeyIGGCHNZPPVTCLQ-UHFFFAOYSA-N
XLogP3.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 69314380
4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 104609503
4-(3-heptylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-2-amine
CID 10177970
1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 57490534
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526
N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498
ethane;N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 91103828
2-(4-butylanilino)pyrimidine-4-carbonitrile
CID 107543659
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine
CID 114206914

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine (CID 69314565) is 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine is CCCCc1ncc(-c2ccnc(Nc3ccccc3)n2)n1C.
What is the InChIKey of 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is IGGCHNZPPVTCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-3-4-10-17-20-13-16(23(17)2)15-11-12-19-18(22-15)21-14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,21,22).
What are the key properties of 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine?
4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 69314565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).