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

C13H15ClN4O — CID 106470815

IUPAC4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCc1nn(C)c(C)c1-c1nc(Cl)c2c(n1)CCOC2
InChIInChI=1S/C13H15ClN4O/c1-7-11(8(2)18(3)17-7)13-15-10-4-5-19-6-9(10)12(14)16-13/h4-6H2,1-3H3
InChIKeyCPIIALPHTGAAPH-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.22
Rot. Bonds1

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

4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470815) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470815
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCc1nn(C)c(C)c1-c1nc(Cl)c2c(n1)CCOC2
InChIInChI=1S/C13H15ClN4O/c1-7-11(8(2)18(3)17-7)13-15-10-4-5-19-6-9(10)12(14)16-13/h4-6H2,1-3H3
InChIKeyCPIIALPHTGAAPH-UHFFFAOYSA-N
XLogP2.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470815) is 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Cc1nn(C)c(C)c1-c1nc(Cl)c2c(n1)CCOC2.
What is the InChIKey of 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is CPIIALPHTGAAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-7-11(8(2)18(3)17-7)13-15-10-4-5-19-6-9(10)12(14)16-13/h4-6H2,1-3H3.
What are the key properties of 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 278.74 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,3,5-trimethylpyrazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).