6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine

C17H23N5 — CID 91136714

IUPAC6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NC2CCc3ccc(C(C)C)cc32)n1
InChIInChI=1S/C17H23N5/c1-4-15-20-16(18)22-17(21-15)19-14-8-7-11-5-6-12(10(2)3)9-13(11)14/h5-6,9-10,14H,4,7-8H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyHMBOBAZXKFIMNA-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.24
Rot. Bonds4

About 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine

6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 91136714) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID91136714
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NC2CCc3ccc(C(C)C)cc32)n1
InChIInChI=1S/C17H23N5/c1-4-15-20-16(18)22-17(21-15)19-14-8-7-11-5-6-12(10(2)3)9-13(11)14/h5-6,9-10,14H,4,7-8H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyHMBOBAZXKFIMNA-UHFFFAOYSA-N
XLogP3.24
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine (CID 91136714) is 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine is CCc1nc(N)nc(NC2CCc3ccc(C(C)C)cc32)n1.
What is the InChIKey of 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HMBOBAZXKFIMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-4-15-20-16(18)22-17(21-15)19-14-8-7-11-5-6-12(10(2)3)9-13(11)14/h5-6,9-10,14H,4,7-8H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91136714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).