2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C15H23N3O — CID 114738924

IUPAC2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOC1(c2nc3c(c(C(C)C)n2)CNCC3)CCC1
InChIInChI=1S/C15H23N3O/c1-10(2)13-11-9-16-8-5-12(11)17-14(18-13)15(19-3)6-4-7-15/h10,16H,4-9H2,1-3H3
InChIKeyZRHXYKUYEHYVFY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.27
Rot. Bonds3

About 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738924) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738924
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOC1(c2nc3c(c(C(C)C)n2)CNCC3)CCC1
InChIInChI=1S/C15H23N3O/c1-10(2)13-11-9-16-8-5-12(11)17-14(18-13)15(19-3)6-4-7-15/h10,16H,4-9H2,1-3H3
InChIKeyZRHXYKUYEHYVFY-UHFFFAOYSA-N
XLogP2.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycyclobutyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737926
4-cyclopropyl-2-(1-methoxycyclobutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739107
2-methyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83847207
2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738420
methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741573
2-(ethoxymethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738982
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611748
4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742417
4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739792
2-(2-methyloxolan-2-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741290
2-(1-ethoxybutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738899
4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 116745833

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738924) is 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COC1(c2nc3c(c(C(C)C)n2)CNCC3)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ZRHXYKUYEHYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)13-11-9-16-8-5-12(11)17-14(18-13)15(19-3)6-4-7-15/h10,16H,4-9H2,1-3H3.
What are the key properties of 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 261.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).