N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

C20H29N5 — CID 112923477

IUPACN,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCN(CC)c1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C20H29N5/c1-5-23(6-2)19-15-17(4)21-20(22-19)25-12-10-24(11-13-25)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3
InChIKeyVPNNXWQCIYWONY-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.27
Rot. Bonds5

About N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112923477) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112923477
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCN(CC)c1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C20H29N5/c1-5-23(6-2)19-15-17(4)21-20(22-19)25-12-10-24(11-13-25)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3
InChIKeyVPNNXWQCIYWONY-UHFFFAOYSA-N
XLogP3.27
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909479
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
N',N'-dimethyl-N-[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 112912809
N-(3,5-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923497
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112923626
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896475
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112911741
N-(2,3-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923499
N-(4-fluorophenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923504

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112923477) is N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is CCN(CC)c1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is VPNNXWQCIYWONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-5-23(6-2)19-15-17(4)21-20(22-19)25-12-10-24(11-13-25)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3.
What are the key properties of N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 339.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112923477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).