2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C11H15N3O — CID 105457618

IUPAC2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc(C2CC2)nc2c1CCNC2
InChIInChI=1S/C11H15N3O/c1-15-11-8-4-5-12-6-9(8)13-10(14-11)7-2-3-7/h7,12H,2-6H2,1H3
InChIKeyVTHJWUTWPDJBFP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.01
Rot. Bonds2

About 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 105457618) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID105457618
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc(C2CC2)nc2c1CCNC2
InChIInChI=1S/C11H15N3O/c1-15-11-8-4-5-12-6-9(8)13-10(14-11)7-2-3-7/h7,12H,2-6H2,1H3
InChIKeyVTHJWUTWPDJBFP-UHFFFAOYSA-N
XLogP1.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 105457618) is 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COc1nc(C2CC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is VTHJWUTWPDJBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-11-8-4-5-12-6-9(8)13-10(14-11)7-2-3-7/h7,12H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 205.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 105457618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).