N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C22H25N5O2 — CID 112896526

IUPACN-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(N3CCN(c4ccccc4)CC3)n2)c(OC)c1
InChIInChI=1S/C22H25N5O2/c1-28-18-8-9-19(20(16-18)29-2)24-21-10-11-23-22(25-21)27-14-12-26(13-15-27)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyUSRBVQSZZKMGBD-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.56
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112896526) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112896526
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(N3CCN(c4ccccc4)CC3)n2)c(OC)c1
InChIInChI=1S/C22H25N5O2/c1-28-18-8-9-19(20(16-18)29-2)24-21-10-11-23-22(25-21)27-14-12-26(13-15-27)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyUSRBVQSZZKMGBD-UHFFFAOYSA-N
XLogP3.56
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896522
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
CID 112894395
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
N-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896527
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
2-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112896544
N-cyclohexyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884822
[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 94672786
N-(2,4-dimethoxyphenyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921278

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112896526) is N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is COc1ccc(Nc2ccnc(N3CCN(c4ccccc4)CC3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is USRBVQSZZKMGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-28-18-8-9-19(20(16-18)29-2)24-21-10-11-23-22(25-21)27-14-12-26(13-15-27)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 391.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112896526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).