4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C12H17ClN2O2 — CID 106470581

IUPAC4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCCOC(CC)c1nc(Cl)c2c(n1)CCOC2
InChIInChI=1S/C12H17ClN2O2/c1-3-10(17-4-2)12-14-9-5-6-16-7-8(9)11(13)15-12/h10H,3-7H2,1-2H3
InChIKeyXPFXGEYDVWHWAJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.69
Rot. Bonds4

About 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470581) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470581
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCCOC(CC)c1nc(Cl)c2c(n1)CCOC2
InChIInChI=1S/C12H17ClN2O2/c1-3-10(17-4-2)12-14-9-5-6-16-7-8(9)11(13)15-12/h10H,3-7H2,1-2H3
InChIKeyXPFXGEYDVWHWAJ-UHFFFAOYSA-N
XLogP2.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472079
4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470799
1-(4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 106470539
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470638
[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473568
4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706709
[2-(1-ethoxypropyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 116731974
4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470646
4-chloro-2-(1-methoxybutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 116706258
4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
CID 116706347
4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106847815
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470581) is 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is CCOC(CC)c1nc(Cl)c2c(n1)CCOC2.
What is the InChIKey of 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is XPFXGEYDVWHWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-10(17-4-2)12-14-9-5-6-16-7-8(9)11(13)15-12/h10H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 256.73 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).