6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine

C15H16ClN3 — CID 80944024

IUPAC6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H16ClN3/c1-2-14-18-13(16)9-15(19-14)17-12-7-6-10-4-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H,17,18,19)
InChIKeyQDRCSRWLGOVTFN-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.92
Rot. Bonds3

About 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine

6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine (PubChem CID 80944024) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
PubChem CID80944024
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H16ClN3/c1-2-14-18-13(16)9-15(19-14)17-12-7-6-10-4-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H,17,18,19)
InChIKeyQDRCSRWLGOVTFN-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766967
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731
N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80927045
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 108778186
4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
CID 60725987
6-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2,2-dimethyl-3H-chromen-4-one
CID 108777423
4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
CID 80763581

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine (CID 80944024) is 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine is CCc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine?
The InChIKey is QDRCSRWLGOVTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-2-14-18-13(16)9-15(19-14)17-12-7-6-10-4-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine?
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80944024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).