N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine

C17H23N5 — CID 112913848

IUPACN,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine
SMILESCc1cc(N2CCN(C)CC2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H23N5/c1-14-13-16(22-11-9-20(2)10-12-22)19-17(18-14)21(3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3
InChIKeyWBPHKGYBHFMRNW-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.30
Rot. Bonds3

About N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine

N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine (PubChem CID 112913848) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine
PubChem CID112913848
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine
SMILESCc1cc(N2CCN(C)CC2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H23N5/c1-14-13-16(22-11-9-20(2)10-12-22)19-17(18-14)21(3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3
InChIKeyWBPHKGYBHFMRNW-UHFFFAOYSA-N
XLogP2.30
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimethanil
CID 91650
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine (CID 112913848) is N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine is Cc1cc(N2CCN(C)CC2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is WBPHKGYBHFMRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-13-16(22-11-9-20(2)10-12-22)19-17(18-14)21(3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3.
What are the key properties of N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine?
N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 112913848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).