2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine

C20H30N6 — CID 92637994

IUPAC2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(CC2CCN(Cc3ccnn3C)CC2)cc(N2CCCC2)n1
InChIInChI=1S/C20H30N6/c1-16-22-18(14-20(23-16)26-9-3-4-10-26)13-17-6-11-25(12-7-17)15-19-5-8-21-24(19)2/h5,8,14,17H,3-4,6-7,9-13,15H2,1-2H3
InChIKeyVSWHUYGFYLQQEE-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.57
Rot. Bonds5

About 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine

2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 92637994) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine
PubChem CID92637994
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(CC2CCN(Cc3ccnn3C)CC2)cc(N2CCCC2)n1
InChIInChI=1S/C20H30N6/c1-16-22-18(14-20(23-16)26-9-3-4-10-26)13-17-6-11-25(12-7-17)15-19-5-8-21-24(19)2/h5,8,14,17H,3-4,6-7,9-13,15H2,1-2H3
InChIKeyVSWHUYGFYLQQEE-UHFFFAOYSA-N
XLogP2.57
TPSA50.08 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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine (CID 92637994) is 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine is Cc1nc(CC2CCN(Cc3ccnn3C)CC2)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is VSWHUYGFYLQQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-16-22-18(14-20(23-16)26-9-3-4-10-26)13-17-6-11-25(12-7-17)15-19-5-8-21-24(19)2/h5,8,14,17H,3-4,6-7,9-13,15H2,1-2H3.
What are the key properties of 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine?
2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 354.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 92637994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).