N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

C16H20N4 — CID 80753978

IUPACN-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2c3ccccc3CC2C)c1C
InChIInChI=1S/C16H20N4/c1-4-17-15-12(3)16(19-10-18-15)20-11(2)9-13-7-5-6-8-14(13)20/h5-8,10-11H,4,9H2,1-3H3,(H,17,18,19)
InChIKeySZPOOIWMUPRALY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.30
Rot. Bonds3

About N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 80753978) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID80753978
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2c3ccccc3CC2C)c1C
InChIInChI=1S/C16H20N4/c1-4-17-15-12(3)16(19-10-18-15)20-11(2)9-13-7-5-6-8-14(13)20/h5-8,10-11H,4,9H2,1-3H3,(H,17,18,19)
InChIKeySZPOOIWMUPRALY-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridin-3-amine
CID 82104336
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 114215376
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040
N-ethyl-6-(5-ethyl-2-methylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80796209
7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one
CID 91961686
3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 62685726
N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 80840306
6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80767440
3-(2-methyl-2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 80753978) is N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is CCNc1ncnc(N2c3ccccc3CC2C)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is SZPOOIWMUPRALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-4-17-15-12(3)16(19-10-18-15)20-11(2)9-13-7-5-6-8-14(13)20/h5-8,10-11H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80753978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).