4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine

C17H21N3O — CID 144632432

IUPAC4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1nccc(OCC2CC2)n1.c1cc2c(cn1)CCC2
InChIInChI=1S/C9H12N2O.C8H9N/c1-7-10-5-4-9(11-7)12-6-8-2-3-8;1-2-7-4-5-9-6-8(7)3-1/h4-5,8H,2-3,6H2,1H3;4-6H,1-3H2
InChIKeyOJSCPVRUXNLOCQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.14
Rot. Bonds3

About 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine

4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 144632432) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID144632432
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1nccc(OCC2CC2)n1.c1cc2c(cn1)CCC2
InChIInChI=1S/C9H12N2O.C8H9N/c1-7-10-5-4-9(11-7)12-6-8-2-3-8;1-2-7-4-5-9-6-8(7)3-1/h4-5,8H,2-3,6H2,1H3;4-6H,1-3H2
InChIKeyOJSCPVRUXNLOCQ-UHFFFAOYSA-N
XLogP3.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine (CID 144632432) is 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine is Cc1nccc(OCC2CC2)n1.c1cc2c(cn1)CCC2.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is OJSCPVRUXNLOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C8H9N/c1-7-10-5-4-9(11-7)12-6-8-2-3-8;1-2-7-4-5-9-6-8(7)3-1/h4-5,8H,2-3,6H2,1H3;4-6H,1-3H2.
What are the key properties of 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine?
4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 283.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 144632432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).