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

C16H20N4 — CID 107855462

IUPAC4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C16H20N4/c1-3-14-19-15(17)10(2)16(20-14)18-13-8-11-6-4-5-7-12(11)9-13/h4-7,13H,3,8-9H2,1-2H3,(H3,17,18,19,20)
InChIKeyGKYSDNLIIQULDN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.51
Rot. Bonds3

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

4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 107855462) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID107855462
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C16H20N4/c1-3-14-19-15(17)10(2)16(20-14)18-13-8-11-6-4-5-7-12(11)9-13/h4-7,13H,3,8-9H2,1-2H3,(H3,17,18,19,20)
InChIKeyGKYSDNLIIQULDN-UHFFFAOYSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 107855462) is 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is GKYSDNLIIQULDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-14-19-15(17)10(2)16(20-14)18-13-8-11-6-4-5-7-12(11)9-13/h4-7,13H,3,8-9H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107855462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).