4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine

C17H22N4 — CID 107855395

IUPAC4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2Cc3ccccc3C2)nc(CC)n1
InChIInChI=1S/C17H22N4/c1-3-15-20-16(18-4-2)11-17(21-15)19-14-9-12-7-5-6-8-13(12)10-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyGXMXCWXJAJQZTH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.05
Rot. Bonds5

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

4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 107855395) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID107855395
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2Cc3ccccc3C2)nc(CC)n1
InChIInChI=1S/C17H22N4/c1-3-15-20-16(18-4-2)11-17(21-15)19-14-9-12-7-5-6-8-13(12)10-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyGXMXCWXJAJQZTH-UHFFFAOYSA-N
XLogP3.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
CID 107855387
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 107855396
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934204
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80940140
4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 107855462
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934460
3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
CID 107855385
6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-propylpyridine-2,6-diamine
CID 107855439
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
CID 80934511
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80941192

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 107855395) is 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(NC2Cc3ccccc3C2)nc(CC)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is GXMXCWXJAJQZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-15-20-16(18-4-2)11-17(21-15)19-14-9-12-7-5-6-8-13(12)10-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.05, 5 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)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 107855395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).