N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

C23H27N5 — CID 112936254

IUPACN-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCc1ccc(CNc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C23H27N5/c1-18-8-10-19(11-9-18)17-24-23-25-21(20-6-4-3-5-7-20)16-22(26-23)28-14-12-27(2)13-15-28/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26)
InChIKeyWZGCDWQALMRCDP-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.82
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112936254) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112936254
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCc1ccc(CNc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C23H27N5/c1-18-8-10-19(11-9-18)17-24-23-25-21(20-6-4-3-5-7-20)16-22(26-23)28-14-12-27(2)13-15-28/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26)
InChIKeyWZGCDWQALMRCDP-UHFFFAOYSA-N
XLogP3.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112934723
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936313
2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 108775748
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (CID 112936254) is N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is Cc1ccc(CNc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is WZGCDWQALMRCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-18-8-10-19(11-9-18)17-24-23-25-21(20-6-4-3-5-7-20)16-22(26-23)28-14-12-27(2)13-15-28/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 373.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112936254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).