N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine

C25H26N6O — CID 123219262

IUPACN-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(N3CCN(c4ccnc5cc(C)ccc45)CC3)n2)cc1
InChIInChI=1S/C25H26N6O/c1-18-3-8-21-22(17-18)26-11-9-23(21)30-13-15-31(16-14-30)25-27-12-10-24(29-25)28-19-4-6-20(32-2)7-5-19/h3-12,17H,13-16H2,1-2H3,(H,27,28,29)
InChIKeyRVIWAZCRSXZGIB-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.41
Rot. Bonds5

About N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine

N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 123219262) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID123219262
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(N3CCN(c4ccnc5cc(C)ccc45)CC3)n2)cc1
InChIInChI=1S/C25H26N6O/c1-18-3-8-21-22(17-18)26-11-9-23(21)30-13-15-31(16-14-30)25-27-12-10-24(29-25)28-19-4-6-20(32-2)7-5-19/h3-12,17H,13-16H2,1-2H3,(H,27,28,29)
InChIKeyRVIWAZCRSXZGIB-UHFFFAOYSA-N
XLogP4.41
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine (CID 123219262) is N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine is COc1ccc(Nc2ccnc(N3CCN(c4ccnc5cc(C)ccc45)CC3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is RVIWAZCRSXZGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-18-3-8-21-22(17-18)26-11-9-23(21)30-13-15-31(16-14-30)25-27-12-10-24(29-25)28-19-4-6-20(32-2)7-5-19/h3-12,17H,13-16H2,1-2H3,(H,27,28,29).
What are the key properties of N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 426.52 g/mol, XLogP of 4.41, 5 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-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 123219262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).