2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine

C21H30N6 — CID 138501437

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1
InChIInChI=1S/C21H30N6/c1-16-6-7-19(22-14-16)20-5-4-8-27(20)15-18-13-21(24-17(2)23-18)26-11-9-25(3)10-12-26/h6-7,13-14,20H,4-5,8-12,15H2,1-3H3/t20-/m0/s1
InChIKeyYSIJBVOXDOUPSR-FQEVSTJZSA-N
MW366.51 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 138501437) 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-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
PubChem CID138501437
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1
InChIInChI=1S/C21H30N6/c1-16-6-7-19(22-14-16)20-5-4-8-27(20)15-18-13-21(24-17(2)23-18)26-11-9-25(3)10-12-26/h6-7,13-14,20H,4-5,8-12,15H2,1-3H3/t20-/m0/s1
InChIKeyYSIJBVOXDOUPSR-FQEVSTJZSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine with MolForge

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Related Compounds

ethane;4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 142549056
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
CID 138501798
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
2-[[2-(5-fluoro-2-pyridinyl)pyrrolidin-1-yl]methyl]-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424828
2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine
CID 121450458
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608
N-cyclobutyl-4-methyl-6-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 118549406
2-[(2S)-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129338470
3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline
CID 90808391
N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 124973071
4-(benzenesulfonylmethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 1476659
1-[1-bromo-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazol-4-yl]-4-methylpiperazine
CID 172743844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine (CID 138501437) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine is Cc1ccc([C@@H]2CCCN2Cc2cc(N3CCN(C)CC3)nc(C)n2)nc1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is YSIJBVOXDOUPSR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N6/c1-16-6-7-19(22-14-16)20-5-4-8-27(20)15-18-13-21(24-17(2)23-18)26-11-9-25(3)10-12-26/h6-7,13-14,20H,4-5,8-12,15H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 366.51 g/mol, XLogP of 2.58, 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-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 138501437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).