N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C22H25N5O — CID 112896522

IUPACN-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C22H25N5O/c1-17-8-9-20(28-2)19(16-17)24-21-10-11-23-22(25-21)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyKVFLUKJDNKZMTI-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.86
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112896522) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112896522
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C22H25N5O/c1-17-8-9-20(28-2)19(16-17)24-21-10-11-23-22(25-21)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyKVFLUKJDNKZMTI-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112898537
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
N-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896527
4-N-(2-methoxy-5-methylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112905033
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898168
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
2-N-(2-methoxy-5-methylphenyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112905074
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
2-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 112898203
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
2-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112896544

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112896522) is N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is COc1ccc(C)cc1Nc1ccnc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is KVFLUKJDNKZMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-8-9-20(28-2)19(16-17)24-21-10-11-23-22(25-21)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,23,24,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112896522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).