5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine

C23H32N8 — CID 133349405

IUPAC5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCC(Cc3cnn(C)c3)C2)nc1N1CCC(Cc2cnn(C)c2)C1
InChIInChI=1S/C23H32N8/c1-17-10-24-23(31-7-5-19(16-31)9-21-12-26-29(3)14-21)27-22(17)30-6-4-18(15-30)8-20-11-25-28(2)13-20/h10-14,18-19H,4-9,15-16H2,1-3H3
InChIKeyUSAKWCXQUISFNX-UHFFFAOYSA-N
MW420.57 g/mol
LogP2.39
Rot. Bonds6

About 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine

5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 133349405) has the molecular formula C23H32N8 and a molecular weight of 420.57 g/mol. Its IUPAC name is 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
PubChem CID133349405
Molecular FormulaC23H32N8
Molecular Weight420.57 g/mol
Exact Mass420.27
IUPAC Name5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCC(Cc3cnn(C)c3)C2)nc1N1CCC(Cc2cnn(C)c2)C1
InChIInChI=1S/C23H32N8/c1-17-10-24-23(31-7-5-19(16-31)9-21-12-26-29(3)14-21)27-22(17)30-6-4-18(15-30)8-20-11-25-28(2)13-20/h10-14,18-19H,4-9,15-16H2,1-3H3
InChIKeyUSAKWCXQUISFNX-UHFFFAOYSA-N
XLogP2.39
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (CID 133349405) is 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is Cc1cnc(N2CCC(Cc3cnn(C)c3)C2)nc1N1CCC(Cc2cnn(C)c2)C1.
What is the InChIKey of 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is USAKWCXQUISFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8/c1-17-10-24-23(31-7-5-19(16-31)9-21-12-26-29(3)14-21)27-22(17)30-6-4-18(15-30)8-20-11-25-28(2)13-20/h10-14,18-19H,4-9,15-16H2,1-3H3.
What are the key properties of 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 420.57 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 133349405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).