N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C22H27N7 — CID 112881555

IUPACN,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN(CC)c1cc(N2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H27N7/c1-3-27(4-2)19-17-20(26-21(25-19)18-9-6-5-7-10-18)28-13-15-29(16-14-28)22-23-11-8-12-24-22/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyZWNLMISDHDKAFF-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.11
Rot. Bonds6

About N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112881555) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112881555
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC NameN,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN(CC)c1cc(N2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H27N7/c1-3-27(4-2)19-17-20(26-21(25-19)18-9-6-5-7-10-18)28-13-15-29(16-14-28)22-23-11-8-12-24-22/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyZWNLMISDHDKAFF-UHFFFAOYSA-N
XLogP3.11
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880527
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112879634
N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896475
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537209
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
CID 112875379
3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline
CID 70165871

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112881555) is N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is CCN(CC)c1cc(N2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZWNLMISDHDKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-3-27(4-2)19-17-20(26-21(25-19)18-9-6-5-7-10-18)28-13-15-29(16-14-28)22-23-11-8-12-24-22/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 389.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112881555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).