4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

C16H20N4 — CID 112883419

IUPAC4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C16H20N4/c1-12(2)11-18-16-17-9-7-15(19-16)20-10-8-13-5-3-4-6-14(13)20/h3-7,9,12H,8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyPISHLBKRRXJLST-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.24
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 112883419) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID112883419
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C16H20N4/c1-12(2)11-18-16-17-9-7-15(19-16)20-10-8-13-5-3-4-6-14(13)20/h3-7,9,12H,8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyPISHLBKRRXJLST-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 129086093
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112901514
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902218
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
CID 59743394
4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112902261
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (CID 112883419) is 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CNc1nccc(N2CCc3ccccc32)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is PISHLBKRRXJLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12(2)11-18-16-17-9-7-15(19-16)20-10-8-13-5-3-4-6-14(13)20/h3-7,9,12H,8,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112883419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).