2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine

C21H30N6 — CID 45185402

IUPAC2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine
SMILESCc1nc(C)c(CN2CCC(C3CCN(c4ncccn4)CC3)C2)nc1C
InChIInChI=1S/C21H30N6/c1-15-16(2)25-20(17(3)24-15)14-26-10-5-19(13-26)18-6-11-27(12-7-18)21-22-8-4-9-23-21/h4,8-9,18-19H,5-7,10-14H2,1-3H3
InChIKeyKEXUHQLMGVXRFM-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.93
Rot. Bonds4

About 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine

2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine (PubChem CID 45185402) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine
PubChem CID45185402
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine
SMILESCc1nc(C)c(CN2CCC(C3CCN(c4ncccn4)CC3)C2)nc1C
InChIInChI=1S/C21H30N6/c1-15-16(2)25-20(17(3)24-15)14-26-10-5-19(13-26)18-6-11-27(12-7-18)21-22-8-4-9-23-21/h4,8-9,18-19H,5-7,10-14H2,1-3H3
InChIKeyKEXUHQLMGVXRFM-UHFFFAOYSA-N
XLogP2.93
TPSA58.04 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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
4-Methyl-6-(4-(1-(5-methylpyrazin-2-yl)piperidin-4-yl)piperidin-1-yl)pyrimidine-2-carbonitrile
CID 54586780
2-Ethynyl-4-methyl-6-{4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]piperidin-1-yl}pyrimidine
CID 73755153
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
2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-methylpyrimidine
CID 72868863
4-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 72915735
8-[(1-Methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97397012
7-[(3-Methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
CID 97412783
8-[(3-Methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97493631
2-Imidazol-1-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazine
CID 110253585
N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine
CID 110257047

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine?
The IUPAC name of 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine (CID 45185402) is 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine is Cc1nc(C)c(CN2CCC(C3CCN(c4ncccn4)CC3)C2)nc1C.
What is the InChIKey of 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine?
The InChIKey is KEXUHQLMGVXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-15-16(2)25-20(17(3)24-15)14-26-10-5-19(13-26)18-6-11-27(12-7-18)21-22-8-4-9-23-21/h4,8-9,18-19H,5-7,10-14H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine?
2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine has a molecular weight of 366.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-[[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 45185402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).