4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C15H21N3 — CID 114739325

IUPAC4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1(c2nc3c(c(C4CCC4)n2)CNCC3)CC1
InChIInChI=1S/C15H21N3/c1-15(6-7-15)14-17-12-5-8-16-9-11(12)13(18-14)10-3-2-4-10/h10,16H,2-9H2,1H3
InChIKeyCDPAURAFUHHBPF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.44
Rot. Bonds2

About 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739325) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739325
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1(c2nc3c(c(C4CCC4)n2)CNCC3)CC1
InChIInChI=1S/C15H21N3/c1-15(6-7-15)14-17-12-5-8-16-9-11(12)13(18-14)10-3-2-4-10/h10,16H,2-9H2,1H3
InChIKeyCDPAURAFUHHBPF-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739325) is 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC1(c2nc3c(c(C4CCC4)n2)CNCC3)CC1.
What is the InChIKey of 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is CDPAURAFUHHBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(6-7-15)14-17-12-5-8-16-9-11(12)13(18-14)10-3-2-4-10/h10,16H,2-9H2,1H3.
What are the key properties of 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 243.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).