2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H23N7 — CID 112879634

IUPAC2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESC=CCNc1cc(N2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N7/c1-2-9-22-18-16-19(26-20(25-18)17-7-4-3-5-8-17)27-12-14-28(15-13-27)21-23-10-6-11-24-21/h2-8,10-11,16H,1,9,12-15H2,(H,22,25,26)
InChIKeyVQPIKPQIBSWJMT-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.86
Rot. Bonds6

About 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112879634) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112879634
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESC=CCNc1cc(N2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N7/c1-2-9-22-18-16-19(26-20(25-18)17-7-4-3-5-8-17)27-12-14-28(15-13-27)21-23-10-6-11-24-21/h2-8,10-11,16H,1,9,12-15H2,(H,22,25,26)
InChIKeyVQPIKPQIBSWJMT-UHFFFAOYSA-N
XLogP2.86
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine
CID 112879622
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine
CID 112879626
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
CID 4533537
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112881555
4-N-tert-butyl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879638
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine
CID 11864206
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112879634) is 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is C=CCNc1cc(N2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is VQPIKPQIBSWJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-9-22-18-16-19(26-20(25-18)17-7-4-3-5-8-17)27-12-14-28(15-13-27)21-23-10-6-11-24-21/h2-8,10-11,16H,1,9,12-15H2,(H,22,25,26).
What are the key properties of 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112879634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).