5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine

C14H14ClN3 — CID 99813703

IUPAC5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)[C@H]1CCc2ccccc21
InChIInChI=1S/C14H14ClN3/c1-18(14-16-8-11(15)9-17-14)13-7-6-10-4-2-3-5-12(10)13/h2-5,8-9,13H,6-7H2,1H3/t13-/m0/s1
InChIKeyQRMRCEUEOPBRMI-ZDUSSCGKSA-N
MW259.74 g/mol
LogP3.25
Rot. Bonds2

About 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine

5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine (PubChem CID 99813703) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine
PubChem CID99813703
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)[C@H]1CCc2ccccc21
InChIInChI=1S/C14H14ClN3/c1-18(14-16-8-11(15)9-17-14)13-7-6-10-4-2-3-5-12(10)13/h2-5,8-9,13H,6-7H2,1H3/t13-/m0/s1
InChIKeyQRMRCEUEOPBRMI-ZDUSSCGKSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine (CID 99813703) is 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine is CN(c1ncc(Cl)cn1)[C@H]1CCc2ccccc21.
What is the InChIKey of 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine?
The InChIKey is QRMRCEUEOPBRMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-18(14-16-8-11(15)9-17-14)13-7-6-10-4-2-3-5-12(10)13/h2-5,8-9,13H,6-7H2,1H3/t13-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine?
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine has a molecular weight of 259.74 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 99813703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).