2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine

C14H14N4 — CID 175863340

IUPAC2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine
SMILESCCc1ncc(-c2c[nH]c3ccccc23)c(N)n1
InChIInChI=1S/C14H14N4/c1-2-13-17-8-11(14(15)18-13)10-7-16-12-6-4-3-5-9(10)12/h3-8,16H,2H2,1H3,(H2,15,17,18)
InChIKeyJIGYNKLNVRUTSB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.77
Rot. Bonds2

About 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine

2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine (PubChem CID 175863340) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine
PubChem CID175863340
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine
SMILESCCc1ncc(-c2c[nH]c3ccccc23)c(N)n1
InChIInChI=1S/C14H14N4/c1-2-13-17-8-11(14(15)18-13)10-7-16-12-6-4-3-5-9(10)12/h3-8,16H,2H2,1H3,(H2,15,17,18)
InChIKeyJIGYNKLNVRUTSB-UHFFFAOYSA-N
XLogP2.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine
CID 67607527
2-(1H-indol-3-yl)aniline
CID 25210227
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
2-[2-(1H-indol-3-yl)phenyl]quinazoline
CID 141386701
5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 101432469
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
3-ethyl-1H-indole;methanamine
CID 142222050
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
CID 135780355
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine (CID 175863340) is 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine is CCc1ncc(-c2c[nH]c3ccccc23)c(N)n1.
What is the InChIKey of 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine?
The InChIKey is JIGYNKLNVRUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-13-17-8-11(14(15)18-13)10-7-16-12-6-4-3-5-9(10)12/h3-8,16H,2H2,1H3,(H2,15,17,18).
What are the key properties of 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine?
2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 175863340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).