2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine

C23H27N5O — CID 112923552

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C23H27N5O/c1-17-8-10-19(11-9-17)25-22-16-18(2)24-23(26-22)28-14-12-27(13-15-28)20-6-4-5-7-21(20)29-3/h4-11,16H,12-15H2,1-3H3,(H,24,25,26)
InChIKeyUVKICXNPWHHWOT-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.17
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine

2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 112923552) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
PubChem CID112923552
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C23H27N5O/c1-17-8-10-19(11-9-17)25-22-16-18(2)24-23(26-22)28-14-12-27(13-15-28)20-6-4-5-7-21(20)29-3/h4-11,16H,12-15H2,1-3H3,(H,24,25,26)
InChIKeyUVKICXNPWHHWOT-UHFFFAOYSA-N
XLogP4.17
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923592
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112924619
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913469
N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910270
2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346510
2-methoxy-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031773
6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122346524
2-(2-fluorophenoxy)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 122346354
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
N-(4-fluorophenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923504
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine (CID 112923552) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine is COc1ccccc1N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is UVKICXNPWHHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-8-10-19(11-9-17)25-22-16-18(2)24-23(26-22)28-14-12-27(13-15-28)20-6-4-5-7-21(20)29-3/h4-11,16H,12-15H2,1-3H3,(H,24,25,26).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112923552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).