4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine

C17H20N4 — CID 175181341

IUPAC4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine
SMILESCCCCCc1ncc(N)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C17H20N4/c1-2-3-4-9-16-19-11-13(18)17(21-16)15-10-12-7-5-6-8-14(12)20-15/h5-8,10-11,20H,2-4,9,18H2,1H3
InChIKeySGKCPWTUGKUFGL-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.94
Rot. Bonds5

About 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine

4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine (PubChem CID 175181341) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine
PubChem CID175181341
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine
SMILESCCCCCc1ncc(N)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C17H20N4/c1-2-3-4-9-16-19-11-13(18)17(21-16)15-10-12-7-5-6-8-14(12)20-15/h5-8,10-11,20H,2-4,9,18H2,1H3
InChIKeySGKCPWTUGKUFGL-UHFFFAOYSA-N
XLogP3.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine?
The IUPAC name of 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine (CID 175181341) is 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine.
What is the SMILES notation for 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine?
The canonical SMILES for 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine is CCCCCc1ncc(N)c(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine?
The InChIKey is SGKCPWTUGKUFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-3-4-9-16-19-11-13(18)17(21-16)15-10-12-7-5-6-8-14(12)20-15/h5-8,10-11,20H,2-4,9,18H2,1H3.
What are the key properties of 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine?
4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine has a molecular weight of 280.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine is sourced from PubChem (CID 175181341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).