2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine

C21H30N6 — CID 138501606

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
SMILESCc1nc(CN2CCCCC2c2ccccn2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C21H30N6/c1-17-23-18(15-21(24-17)26-13-11-25(2)12-14-26)16-27-10-6-4-8-20(27)19-7-3-5-9-22-19/h3,5,7,9,15,20H,4,6,8,10-14,16H2,1-2H3
InChIKeyVRQXLHIGYQNRMJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine (PubChem CID 138501606) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
PubChem CID138501606
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
SMILESCc1nc(CN2CCCCC2c2ccccn2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C21H30N6/c1-17-23-18(15-21(24-17)26-13-11-25(2)12-14-26)16-27-10-6-4-8-20(27)19-7-3-5-9-22-19/h3,5,7,9,15,20H,4,6,8,10-14,16H2,1-2H3
InChIKeyVRQXLHIGYQNRMJ-UHFFFAOYSA-N
XLogP2.66
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Amprolium Hydrochloride
CID 8732
2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Amprolium
CID 73341
Amprolium ion
CID 2178
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
5-{4-[3-(2-Methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
CID 130301107
1-methyl-4-[2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidin-4-yl]-1,4-diazepane
CID 138501432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine (CID 138501606) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine is Cc1nc(CN2CCCCC2c2ccccn2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine?
The InChIKey is VRQXLHIGYQNRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-17-23-18(15-21(24-17)26-13-11-25(2)12-14-26)16-27-10-6-4-8-20(27)19-7-3-5-9-22-19/h3,5,7,9,15,20H,4,6,8,10-14,16H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine has a molecular weight of 366.51 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 138501606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).