2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine

C16H13ClN4O — CID 146598277

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
SMILESClc1nc(NCCc2c[nH]c3ccccc23)c2occc2n1
InChIInChI=1S/C16H13ClN4O/c17-16-20-13-6-8-22-14(13)15(21-16)18-7-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,6,8-9,19H,5,7H2,(H,18,20,21)
InChIKeyAMLINGBYWIJIAT-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine

2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine (PubChem CID 146598277) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
PubChem CID146598277
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
SMILESClc1nc(NCCc2c[nH]c3ccccc23)c2occc2n1
InChIInChI=1S/C16H13ClN4O/c17-16-20-13-6-8-22-14(13)15(21-16)18-7-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,6,8-9,19H,5,7H2,(H,18,20,21)
InChIKeyAMLINGBYWIJIAT-UHFFFAOYSA-N
XLogP4.01
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-5,6-dimethylpyrimidin-4-amine
CID 82460644
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]aniline
CID 171397349
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
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
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 146409420
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
1-[2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 146405528
6-chloro-N-[2-(1H-indol-3-yl)ethyl]quinolin-4-amine
CID 110433242

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine (CID 146598277) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine is Clc1nc(NCCc2c[nH]c3ccccc23)c2occc2n1.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine?
The InChIKey is AMLINGBYWIJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-16-20-13-6-8-22-14(13)15(21-16)18-7-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,6,8-9,19H,5,7H2,(H,18,20,21).
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine has a molecular weight of 312.76 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 146598277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).