5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine

C14H16N4 — CID 69079950

IUPAC5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1cccc2c1CCC2
InChIInChI=1S/C14H16N4/c1-8-12(13(15)18-14(16)17-8)11-7-3-5-9-4-2-6-10(9)11/h3,5,7H,2,4,6H2,1H3,(H4,15,16,17,18)
InChIKeyJKZGDUXHAUJYMW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.11
Rot. Bonds1

About 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine

5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 69079950) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID69079950
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1cccc2c1CCC2
InChIInChI=1S/C14H16N4/c1-8-12(13(15)18-14(16)17-8)11-7-3-5-9-4-2-6-10(9)11/h3,5,7H,2,4,6H2,1H3,(H4,15,16,17,18)
InChIKeyJKZGDUXHAUJYMW-UHFFFAOYSA-N
XLogP2.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine (CID 69079950) is 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1-c1cccc2c1CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is JKZGDUXHAUJYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-8-12(13(15)18-14(16)17-8)11-7-3-5-9-4-2-6-10(9)11/h3,5,7H,2,4,6H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine?
5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 69079950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).