N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C26H27N7 — CID 58571320

IUPACN-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC1=CC(Nc2cc(N3CCN(c4ccccn4)CC3)nc(/C=C/c3ccccc3)n2)=NC1
InChIInChI=1S/C26H27N7/c1-20-17-23(28-19-20)30-24-18-26(31-22(29-24)11-10-21-7-3-2-4-8-21)33-15-13-32(14-16-33)25-9-5-6-12-27-25/h2-12,17-18H,13-16,19H2,1H3,(H,28,29,30,31)/b11-10+
InChIKeyHMCHJXXSQCJYDE-ZHACJKMWSA-N
MW437.55 g/mol
LogP4.14
Rot. Bonds5

About N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 58571320) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID58571320
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC NameN-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC1=CC(Nc2cc(N3CCN(c4ccccn4)CC3)nc(/C=C/c3ccccc3)n2)=NC1
InChIInChI=1S/C26H27N7/c1-20-17-23(28-19-20)30-24-18-26(31-22(29-24)11-10-21-7-3-2-4-8-21)33-15-13-32(14-16-33)25-9-5-6-12-27-25/h2-12,17-18H,13-16,19H2,1H3,(H,28,29,30,31)/b11-10+
InChIKeyHMCHJXXSQCJYDE-ZHACJKMWSA-N
XLogP4.14
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 58571305
4-[4-[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 58571301
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 46219448
6-(4,4-dimethylpiperazin-4-ium-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethenyl)pyrimidin-4-amine
CID 91155794
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
(2S,3S)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 66576993
N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 90754084
N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2-phenylethenyl)pyrimidin-4-amine
CID 67429194
1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]azepan-4-ol
CID 143436235
N-(3-chlorophenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875542
N-(5-methyl-1H-pyrazol-3-yl)-6-(3-methylpyrrolidin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 89062021

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 58571320) is N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is CC1=CC(Nc2cc(N3CCN(c4ccccn4)CC3)nc(/C=C/c3ccccc3)n2)=NC1.
What is the InChIKey of N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is HMCHJXXSQCJYDE-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H27N7/c1-20-17-23(28-19-20)30-24-18-26(31-22(29-24)11-10-21-7-3-2-4-8-21)33-15-13-32(14-16-33)25-9-5-6-12-27-25/h2-12,17-18H,13-16,19H2,1H3,(H,28,29,30,31)/b11-10+.
What are the key properties of N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 437.55 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 58571320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).