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

C17H27N3O — CID 114739300

IUPAC4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCC(CC)(OC)c1nc2c(c(C3CCC3)n1)CNCC2
InChIInChI=1S/C17H27N3O/c1-4-17(5-2,21-3)16-19-14-9-10-18-11-13(14)15(20-16)12-7-6-8-12/h12,18H,4-11H2,1-3H3
InChIKeyJGPNKBAVDNDYTE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.05
Rot. Bonds5

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

4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739300) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739300
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCC(CC)(OC)c1nc2c(c(C3CCC3)n1)CNCC2
InChIInChI=1S/C17H27N3O/c1-4-17(5-2,21-3)16-19-14-9-10-18-11-13(14)15(20-16)12-7-6-8-12/h12,18H,4-11H2,1-3H3
InChIKeyJGPNKBAVDNDYTE-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739325
6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
CID 116777418
2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737863
4-cyclobutyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103477264
6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)-N-methylpyrimidin-4-amine
CID 116777422
2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737735
4-cyclopropyl-2-(1-methoxycyclobutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739107
4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808723
2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739362
2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103445613
3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116741192
2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83850597

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739300) is 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCC(CC)(OC)c1nc2c(c(C3CCC3)n1)CNCC2.
What is the InChIKey of 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is JGPNKBAVDNDYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-17(5-2,21-3)16-19-14-9-10-18-11-13(14)15(20-16)12-7-6-8-12/h12,18H,4-11H2,1-3H3.
What are the key properties of 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 289.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).