5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine

C14H14ClN3O — CID 171328577

IUPAC5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccc2c(c1)CCO2)c1ncc(Cl)cn1
InChIInChI=1S/C14H14ClN3O/c1-18(14-16-7-12(15)8-17-14)9-10-2-3-13-11(6-10)4-5-19-13/h2-3,6-8H,4-5,9H2,1H3
InChIKeyPDFJFNHIEZABRM-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.70
Rot. Bonds3

About 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine

5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine (PubChem CID 171328577) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine
PubChem CID171328577
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccc2c(c1)CCO2)c1ncc(Cl)cn1
InChIInChI=1S/C14H14ClN3O/c1-18(14-16-7-12(15)8-17-14)9-10-2-3-13-11(6-10)4-5-19-13/h2-3,6-8H,4-5,9H2,1H3
InChIKeyPDFJFNHIEZABRM-UHFFFAOYSA-N
XLogP2.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147996
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
CID 171329075
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
CID 99854678
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine
CID 171328969
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925206
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine (CID 171328577) is 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine is CN(Cc1ccc2c(c1)CCO2)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine?
The InChIKey is PDFJFNHIEZABRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18(14-16-7-12(15)8-17-14)9-10-2-3-13-11(6-10)4-5-19-13/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine?
5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine has a molecular weight of 275.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 171328577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).