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

C15H15ClN2O2 — CID 43557667

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H15ClN2O2/c1-2-3-11-9-14(16)18-15(17-11)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyQBTPGRNAAQQLEP-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.52
Rot. Bonds3

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

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine (PubChem CID 43557667) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
PubChem CID43557667
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H15ClN2O2/c1-2-3-11-9-14(16)18-15(17-11)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyQBTPGRNAAQQLEP-UHFFFAOYSA-N
XLogP3.52
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.52
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-ethylpyrimidine
CID 43557902
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784
4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
CID 63352760
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
CID 105407965
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine
CID 62201527
4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine
CID 115524761
2-(1,3-benzodioxol-5-yl)-4-chloro-6-methylpyrimidine
CID 43557789
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
CID 80946171
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318591

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine (CID 43557667) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine?
The InChIKey is QBTPGRNAAQQLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-3-11-9-14(16)18-15(17-11)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine has a molecular weight of 290.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine is sourced from PubChem (CID 43557667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).