N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H17N5 — CID 110430596

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3c[nH]c4ccccc34)ncnc2[nH]1
InChIInChI=1S/C17H17N5/c1-11-8-14-16(20-10-21-17(14)22-11)18-7-6-12-9-19-15-5-3-2-4-13(12)15/h2-5,8-10,19H,6-7H2,1H3,(H2,18,20,21,22)
InChIKeyXSHHLCYLFLLGSB-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430596) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430596
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3c[nH]c4ccccc34)ncnc2[nH]1
InChIInChI=1S/C17H17N5/c1-11-8-14-16(20-10-21-17(14)22-11)18-7-6-12-9-19-15-5-3-2-4-13(12)15/h2-5,8-10,19H,6-7H2,1H3,(H2,18,20,21,22)
InChIKeyXSHHLCYLFLLGSB-UHFFFAOYSA-N
XLogP3.40
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82455159
methyl 4-[2-(1H-indol-3-yl)ethylamino]-9H-pyrimido[4,5-b]indole-7-carboxylate
CID 156516653
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
1-(3-chloro-4-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017492
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 59555595
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430596) is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCc3c[nH]c4ccccc34)ncnc2[nH]1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XSHHLCYLFLLGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-11-8-14-16(20-10-21-17(14)22-11)18-7-6-12-9-19-15-5-3-2-4-13(12)15/h2-5,8-10,19H,6-7H2,1H3,(H2,18,20,21,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 291.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).