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

C22H25N5O2 — CID 112901738

IUPACN-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-28-19-7-3-17(4-8-19)24-21-11-12-23-22(25-21)27-15-13-26(14-16-27)18-5-9-20(29-2)10-6-18/h3-12H,13-16H2,1-2H3,(H,23,24,25)
InChIKeyYNHBXHDVIKIABX-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.56
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112901738) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112901738
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-28-19-7-3-17(4-8-19)24-21-11-12-23-22(25-21)27-15-13-26(14-16-27)18-5-9-20(29-2)10-6-18/h3-12H,13-16H2,1-2H3,(H,23,24,25)
InChIKeyYNHBXHDVIKIABX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
N-cyclohexyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884822
N-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896527
2-N-(4-methoxyphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112904779
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 123219262
2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112888158
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 112890301
N-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112961512
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021
2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 112888173

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112901738) is N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine is COc1ccc(Nc2ccnc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is YNHBXHDVIKIABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-28-19-7-3-17(4-8-19)24-21-11-12-23-22(25-21)27-15-13-26(14-16-27)18-5-9-20(29-2)10-6-18/h3-12H,13-16H2,1-2H3,(H,23,24,25).
What are the key properties of N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-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-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112901738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).