4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine

C15H17N3O — CID 162135804

IUPAC4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1CCC1CC1
InChIInChI=1S/C15H17N3O/c1-19-14-10-17-15(13-4-2-3-9-16-13)18-12(14)8-7-11-5-6-11/h2-4,9-11H,5-8H2,1H3
InChIKeyZJGNNAFHVUHFTP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.89
Rot. Bonds5

About 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine

4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 162135804) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID162135804
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1CCC1CC1
InChIInChI=1S/C15H17N3O/c1-19-14-10-17-15(13-4-2-3-9-16-13)18-12(14)8-7-11-5-6-11/h2-4,9-11H,5-8H2,1H3
InChIKeyZJGNNAFHVUHFTP-UHFFFAOYSA-N
XLogP2.89
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine (CID 162135804) is 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1CCC1CC1.
What is the InChIKey of 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is ZJGNNAFHVUHFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-14-10-17-15(13-4-2-3-9-16-13)18-12(14)8-7-11-5-6-11/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 255.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 162135804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).