4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine

C13H15N5 — CID 95841795

IUPAC4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@@H]2CCN(c3ccncn3)C2)n1
InChIInChI=1S/C13H15N5/c1-10-2-6-15-13(17-10)11-4-7-18(8-11)12-3-5-14-9-16-12/h2-3,5-6,9,11H,4,7-8H2,1H3/t11-/m1/s1
InChIKeyJFKSPNIMHCDNNI-LLVKDONJSA-N
MW241.30 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine

4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine (PubChem CID 95841795) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
PubChem CID95841795
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@@H]2CCN(c3ccncn3)C2)n1
InChIInChI=1S/C13H15N5/c1-10-2-6-15-13(17-10)11-4-7-18(8-11)12-3-5-14-9-16-12/h2-3,5-6,9,11H,4,7-8H2,1H3/t11-/m1/s1
InChIKeyJFKSPNIMHCDNNI-LLVKDONJSA-N
XLogP1.57
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine (CID 95841795) is 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine is Cc1ccnc([C@@H]2CCN(c3ccncn3)C2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine?
The InChIKey is JFKSPNIMHCDNNI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N5/c1-10-2-6-15-13(17-10)11-4-7-18(8-11)12-3-5-14-9-16-12/h2-3,5-6,9,11H,4,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine?
4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine has a molecular weight of 241.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 95841795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).