2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

C15H15ClN4O — CID 104544765

IUPAC2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)CCO3)nc(N2CCCC2)n1
InChIInChI=1S/C15H15ClN4O/c16-14-17-13(18-15(19-14)20-6-1-2-7-20)11-3-4-12-10(9-11)5-8-21-12/h3-4,9H,1-2,5-8H2
InChIKeyNOIKPRHSWDWWPM-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 104544765) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID104544765
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)CCO3)nc(N2CCCC2)n1
InChIInChI=1S/C15H15ClN4O/c16-14-17-13(18-15(19-14)20-6-1-2-7-20)11-3-4-12-10(9-11)5-8-21-12/h3-4,9H,1-2,5-8H2
InChIKeyNOIKPRHSWDWWPM-UHFFFAOYSA-N
XLogP2.73
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 66313992
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
6-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 104544727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 104544765) is 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is Clc1nc(-c2ccc3c(c2)CCO3)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is NOIKPRHSWDWWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-14-17-13(18-15(19-14)20-6-1-2-7-20)11-3-4-12-10(9-11)5-8-21-12/h3-4,9H,1-2,5-8H2.
What are the key properties of 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 302.76 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 104544765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).