2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine

C24H25N7 — CID 71690580

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
SMILESCc1cc(C)nc(N2CCN(c3nc(Nc4ccccc4)c4ccccc4n3)CC2)n1
InChIInChI=1S/C24H25N7/c1-17-16-18(2)26-23(25-17)30-12-14-31(15-13-30)24-28-21-11-7-6-10-20(21)22(29-24)27-19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3,(H,27,28,29)
InChIKeyLVFFEMUKJZWMMH-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.11
Rot. Bonds4

About 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine (PubChem CID 71690580) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
PubChem CID71690580
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
SMILESCc1cc(C)nc(N2CCN(c3nc(Nc4ccccc4)c4ccccc4n3)CC2)n1
InChIInChI=1S/C24H25N7/c1-17-16-18(2)26-23(25-17)30-12-14-31(15-13-30)24-28-21-11-7-6-10-20(21)22(29-24)27-19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3,(H,27,28,29)
InChIKeyLVFFEMUKJZWMMH-UHFFFAOYSA-N
XLogP4.11
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
CID 71690658
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
CID 71690567
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
ethyl 4-[4-(4-methoxyanilino)quinazolin-2-yl]piperazine-1-carboxylate
CID 71691224
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475
N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 166235366
4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 22585325
2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 36723487

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine (CID 71690580) is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine is Cc1cc(C)nc(N2CCN(c3nc(Nc4ccccc4)c4ccccc4n3)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine?
The InChIKey is LVFFEMUKJZWMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-17-16-18(2)26-23(25-17)30-12-14-31(15-13-30)24-28-21-11-7-6-10-20(21)22(29-24)27-19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine?
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine has a molecular weight of 411.51 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine is sourced from PubChem (CID 71690580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).