2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine

C16H17ClN4 — CID 82460644

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(NCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C16H17ClN4/c1-10-11(2)20-16(17)21-15(10)18-8-7-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,19H,7-8H2,1-2H3,(H,18,20,21)
InChIKeyNIPSKCUCWBUTIQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.88
Rot. Bonds4

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 82460644) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
PubChem CID82460644
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(NCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C16H17ClN4/c1-10-11(2)20-16(17)21-15(10)18-8-7-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,19H,7-8H2,1-2H3,(H,18,20,21)
InChIKeyNIPSKCUCWBUTIQ-UHFFFAOYSA-N
XLogP3.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
CID 146598277
5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572982
5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572985
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 146409420
1-[2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 146405528
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-8-(oxetan-3-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine
CID 171573004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine (CID 82460644) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine is Cc1nc(Cl)nc(NCCc2c[nH]c3ccccc23)c1C.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine?
The InChIKey is NIPSKCUCWBUTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10-11(2)20-16(17)21-15(10)18-8-7-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,19H,7-8H2,1-2H3,(H,18,20,21).
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 300.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 82460644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).