4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine

C15H13ClN2O2 — CID 63352760

IUPAC4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
SMILESClc1cc(C2CC2)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H13ClN2O2/c16-14-8-11(9-1-2-9)17-15(18-14)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9H,1-2,5-6H2
InChIKeyNQHTZSDIEMRYHG-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.45
Rot. Bonds2

About 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine

4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine (PubChem CID 63352760) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
PubChem CID63352760
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
SMILESClc1cc(C2CC2)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H13ClN2O2/c16-14-8-11(9-1-2-9)17-15(18-14)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9H,1-2,5-6H2
InChIKeyNQHTZSDIEMRYHG-UHFFFAOYSA-N
XLogP3.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
CID 43557667
4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
CID 55203209
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
CID 43557902
2-(1,3-benzodioxol-5-yl)-4-chloro-6-methylpyrimidine
CID 43557789
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
CID 63355064
4,6-dichloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-fluoropyrimidine
CID 80550965
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 80945775
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
CID 114937710
4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
CID 63354926
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
CID 82079467

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine (CID 63352760) is 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine is Clc1cc(C2CC2)nc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine?
The InChIKey is NQHTZSDIEMRYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-14-8-11(9-1-2-9)17-15(18-14)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine?
4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine has a molecular weight of 288.73 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine is sourced from PubChem (CID 63352760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).