4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine

C13H17N3 — CID 10176756

IUPAC4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine
SMILESC1=NC(C2CCCCC2)c2cnccc2N1
InChIInChI=1S/C13H17N3/c1-2-4-10(5-3-1)13-11-8-14-7-6-12(11)15-9-16-13/h6-10,13H,1-5H2,(H,15,16)
InChIKeyIAPMXGMRGMMROU-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.16
Rot. Bonds1

About 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine

4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine (PubChem CID 10176756) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine
PubChem CID10176756
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine
SMILESC1=NC(C2CCCCC2)c2cnccc2N1
InChIInChI=1S/C13H17N3/c1-2-4-10(5-3-1)13-11-8-14-7-6-12(11)15-9-16-13/h6-10,13H,1-5H2,(H,15,16)
InChIKeyIAPMXGMRGMMROU-UHFFFAOYSA-N
XLogP3.16
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine (CID 10176756) is 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine is C1=NC(C2CCCCC2)c2cnccc2N1.
What is the InChIKey of 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine?
The InChIKey is IAPMXGMRGMMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-4-10(5-3-1)13-11-8-14-7-6-12(11)15-9-16-13/h6-10,13H,1-5H2,(H,15,16).
What are the key properties of 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine?
4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine has a molecular weight of 215.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 10176756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).