N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine

C20H30N6 — CID 138501798

IUPACN-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(C(C)N(C)Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1
InChIInChI=1S/C20H30N6/c1-15-6-7-19(21-13-15)16(2)25(5)14-18-12-20(23-17(3)22-18)26-10-8-24(4)9-11-26/h6-7,12-13,16H,8-11,14H2,1-5H3
InChIKeyITRYEMNSBCGYOV-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.43
Rot. Bonds5

About N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine

N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 138501798) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
PubChem CID138501798
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC NameN-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(C(C)N(C)Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1
InChIInChI=1S/C20H30N6/c1-15-6-7-19(21-13-15)16(2)25(5)14-18-12-20(23-17(3)22-18)26-10-8-24(4)9-11-26/h6-7,12-13,16H,8-11,14H2,1-5H3
InChIKeyITRYEMNSBCGYOV-UHFFFAOYSA-N
XLogP2.43
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine with MolForge

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine
CID 138501523
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
CID 138501437
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,6-naphthyridin-8-amine
CID 138491882
N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
CID 138501511
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608
8-[methyl-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]amino]quinoline-6-carboxylic acid
CID 154608467
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-7-methylsulfonylquinolin-8-amine
CID 138501513
4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 1476659
(5Z)-5-ethylidene-2-fluoro-N-methyl-6-methylimino-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]cyclohexen-1-amine
CID 138501516
1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 20791675
[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol;(1S)-N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-pyridin-2-ylethanamine;[4-methyl-1-[2-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-4-yl]piperazin-2-yl]methanol;[2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-5-yl]methanol;4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-amine;[4-(4-methylpiperazin-1-yl)-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol
CID 158936970
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine (CID 138501798) is N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(C(C)N(C)Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1.
What is the InChIKey of N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is ITRYEMNSBCGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-15-6-7-19(21-13-15)16(2)25(5)14-18-12-20(23-17(3)22-18)26-10-8-24(4)9-11-26/h6-7,12-13,16H,8-11,14H2,1-5H3.
What are the key properties of N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine?
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 354.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 138501798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).