4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine

C14H14F2N4O — CID 70688841

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1N1CCC(F)(F)C1
InChIInChI=1S/C14H14F2N4O/c1-21-11-8-18-12(10-4-2-3-6-17-10)19-13(11)20-7-5-14(15,16)9-20/h2-4,6,8H,5,7,9H2,1H3
InChIKeyNSROMLZGKSTOEF-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.39
Rot. Bonds3

About 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine

4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 70688841) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID70688841
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1N1CCC(F)(F)C1
InChIInChI=1S/C14H14F2N4O/c1-21-11-8-18-12(10-4-2-3-6-17-10)19-13(11)20-7-5-14(15,16)9-20/h2-4,6,8H,5,7,9H2,1H3
InChIKeyNSROMLZGKSTOEF-UHFFFAOYSA-N
XLogP2.39
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine (CID 70688841) is 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1N1CCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is NSROMLZGKSTOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-21-11-8-18-12(10-4-2-3-6-17-10)19-13(11)20-7-5-14(15,16)9-20/h2-4,6,8H,5,7,9H2,1H3.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 292.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 70688841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).