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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Related Compounds

6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
CID 133334138
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136811144
N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126811695
N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethyl-5-nitroimidazol-4-amine
CID 47146024
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
CID 42941214
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79646356
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-carboxamide
CID 43049148
N-methyl-N-[5-methyl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
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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).