N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

C22H25N5O — CID 112936317

IUPACN-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-26-12-14-27(15-13-26)21-16-20(17-6-4-3-5-7-17)24-22(25-21)23-18-8-10-19(28-2)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyAYZULWNJOMCPGV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.65
Rot. Bonds5

About N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112936317) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112936317
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-26-12-14-27(15-13-26)21-16-20(17-6-4-3-5-7-17)24-22(25-21)23-18-8-10-19(28-2)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyAYZULWNJOMCPGV-UHFFFAOYSA-N
XLogP3.65
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936319
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936313
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
CID 112938030
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252
4-[2-(2-methoxyanilino)-6-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112936593
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (CID 112936317) is N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is COc1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is AYZULWNJOMCPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-12-14-27(15-13-26)21-16-20(17-6-4-3-5-7-17)24-22(25-21)23-18-8-10-19(28-2)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25).
What are the key properties of N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112936317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).