4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine

C24H28N6 — CID 133492915

IUPAC4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cccc(C2CCCN2c2cc(N3CCCC3c3cccc(C)n3)ncn2)n1
InChIInChI=1S/C24H28N6/c1-17-7-3-9-19(27-17)21-11-5-13-29(21)23-15-24(26-16-25-23)30-14-6-12-22(30)20-10-4-8-18(2)28-20/h3-4,7-10,15-16,21-22H,5-6,11-14H2,1-2H3
InChIKeyIGLJBQVZANGKIX-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.57
Rot. Bonds4

About 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine

4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 133492915) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
PubChem CID133492915
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cccc(C2CCCN2c2cc(N3CCCC3c3cccc(C)n3)ncn2)n1
InChIInChI=1S/C24H28N6/c1-17-7-3-9-19(27-17)21-11-5-13-29(21)23-15-24(26-16-25-23)30-14-6-12-22(30)20-10-4-8-18(2)28-20/h3-4,7-10,15-16,21-22H,5-6,11-14H2,1-2H3
InChIKeyIGLJBQVZANGKIX-UHFFFAOYSA-N
XLogP4.57
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine (CID 133492915) is 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine is Cc1cccc(C2CCCN2c2cc(N3CCCC3c3cccc(C)n3)ncn2)n1.
What is the InChIKey of 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is IGLJBQVZANGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-17-7-3-9-19(27-17)21-11-5-13-29(21)23-15-24(26-16-25-23)30-14-6-12-22(30)20-10-4-8-18(2)28-20/h3-4,7-10,15-16,21-22H,5-6,11-14H2,1-2H3.
What are the key properties of 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine?
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 400.53 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 133492915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).