2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine

C19H26N6 — CID 45207385

IUPAC2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC(C3CCN(c4ncccn4)CC3)C2)n1
InChIInChI=1S/C19H26N6/c1-14-12-22-15(2)18(23-14)25-11-6-17(13-25)16-4-9-24(10-5-16)19-20-7-3-8-21-19/h3,7-8,12,16-17H,4-6,9-11,13H2,1-2H3
InChIKeyQPCLPVIRWJJFGC-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.63
Rot. Bonds3

About 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine

2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine (PubChem CID 45207385) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine
PubChem CID45207385
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC(C3CCN(c4ncccn4)CC3)C2)n1
InChIInChI=1S/C19H26N6/c1-14-12-22-15(2)18(23-14)25-11-6-17(13-25)16-4-9-24(10-5-16)19-20-7-3-8-21-19/h3,7-8,12,16-17H,4-6,9-11,13H2,1-2H3
InChIKeyQPCLPVIRWJJFGC-UHFFFAOYSA-N
XLogP2.63
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
N-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
CID 10785202
4-Methyl-6-(4-(1-(5-methylpyrazin-2-yl)piperidin-4-yl)piperidin-1-yl)pyrimidine-2-carbonitrile
CID 54586780
N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 72709675
2-Ethynyl-4-methyl-6-{4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]piperidin-1-yl}pyrimidine
CID 73755153
N-(6-(4-(aminomethyl)piperidin-1-yl)pyrimidin-4-yl)pyrazin-2-amine
CID 42610049
2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrimidine
CID 70756171
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 71691577
N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933042
6-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidin-1-yl)pyrimidin-4-amine
CID 72844111
2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-methylpyrimidine
CID 72868863
6-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-4-pyrimidinamine
CID 72873331

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine (CID 45207385) is 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine is Cc1cnc(C)c(N2CCC(C3CCN(c4ncccn4)CC3)C2)n1.
What is the InChIKey of 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine?
The InChIKey is QPCLPVIRWJJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-14-12-22-15(2)18(23-14)25-11-6-17(13-25)16-4-9-24(10-5-16)19-20-7-3-8-21-19/h3,7-8,12,16-17H,4-6,9-11,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine?
2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine has a molecular weight of 338.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 45207385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).