4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine

C14H17N5 — CID 110269098

IUPAC4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine
SMILESCc1cc(C)nc(C2CCN(c3ccncn3)C2)n1
InChIInChI=1S/C14H17N5/c1-10-7-11(2)18-14(17-10)12-4-6-19(8-12)13-3-5-15-9-16-13/h3,5,7,9,12H,4,6,8H2,1-2H3
InChIKeyBOJLEXZDLFLBQH-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.88
Rot. Bonds2

About 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine

4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 110269098) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine
PubChem CID110269098
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine
SMILESCc1cc(C)nc(C2CCN(c3ccncn3)C2)n1
InChIInChI=1S/C14H17N5/c1-10-7-11(2)18-14(17-10)12-4-6-19(8-12)13-3-5-15-9-16-13/h3,5,7,9,12H,4,6,8H2,1-2H3
InChIKeyBOJLEXZDLFLBQH-UHFFFAOYSA-N
XLogP1.88
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine (CID 110269098) is 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine is Cc1cc(C)nc(C2CCN(c3ccncn3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine?
The InChIKey is BOJLEXZDLFLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-7-11(2)18-14(17-10)12-4-6-19(8-12)13-3-5-15-9-16-13/h3,5,7,9,12H,4,6,8H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine?
4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 110269098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).