4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine

C7H7ClN2O — CID 59634433

IUPAC4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESClc1ncnc2c1CCOC2
InChIInChI=1S/C7H7ClN2O/c8-7-5-1-2-11-3-6(5)9-4-10-7/h4H,1-3H2
InChIKeyFJFMIUFKCRYBQJ-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.20
Rot. Bonds

About 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine

4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (PubChem CID 59634433) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
PubChem CID59634433
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESClc1ncnc2c1CCOC2
InChIInChI=1S/C7H7ClN2O/c8-7-5-1-2-11-3-6(5)9-4-10-7/h4H,1-3H2
InChIKeyFJFMIUFKCRYBQJ-UHFFFAOYSA-N
XLogP1.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350898
4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine
CID 83668197
N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472169
4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470646
4-ethyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine
CID 142555742
4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470587
(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine
CID 83859046
N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472396
6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 84718083
3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine
CID 82401884
N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 167974744
4-chloro-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidine
CID 15128792

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (CID 59634433) is 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is Clc1ncnc2c1CCOC2.
What is the InChIKey of 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The InChIKey is FJFMIUFKCRYBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-7-5-1-2-11-3-6(5)9-4-10-7/h4H,1-3H2.
What are the key properties of 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine has a molecular weight of 170.60 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is sourced from PubChem (CID 59634433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).