N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine

C23H26N4O — CID 112938030

IUPACN-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccccc3)cc(N3CCCC(C)C3)n2)c1
InChIInChI=1S/C23H26N4O/c1-17-8-7-13-27(16-17)22-15-21(18-9-4-3-5-10-18)25-23(26-22)24-19-11-6-12-20(14-19)28-2/h3-6,9-12,14-15,17H,7-8,13,16H2,1-2H3,(H,24,25,26)
InChIKeyPLELBDMSKDMUKI-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.13
Rot. Bonds5

About N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine

N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112938030) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112938030
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccccc3)cc(N3CCCC(C)C3)n2)c1
InChIInChI=1S/C23H26N4O/c1-17-8-7-13-27(16-17)22-15-21(18-9-4-3-5-10-18)25-23(26-22)24-19-11-6-12-20(14-19)28-2/h3-6,9-12,14-15,17H,7-8,13,16H2,1-2H3,(H,24,25,26)
InChIKeyPLELBDMSKDMUKI-UHFFFAOYSA-N
XLogP5.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112938033
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112937177
methyl 3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112934184
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
N-(3-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 112847330
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine (CID 112938030) is N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine is COc1cccc(Nc2nc(-c3ccccc3)cc(N3CCCC(C)C3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is PLELBDMSKDMUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-8-7-13-27(16-17)22-15-21(18-9-4-3-5-10-18)25-23(26-22)24-19-11-6-12-20(14-19)28-2/h3-6,9-12,14-15,17H,7-8,13,16H2,1-2H3,(H,24,25,26).
What are the key properties of N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine?
N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112938030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).