6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

C17H21N5O — CID 22542915

IUPAC6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCC2CCCO2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C17H21N5O/c18-15-16(19-10-13-5-3-9-23-13)20-11-21-17(15)22-8-7-12-4-1-2-6-14(12)22/h1-2,4,6,11,13H,3,5,7-10,18H2,(H,19,20,21)
InChIKeyQVNKXAVGJIFFKR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.34
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 22542915) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID22542915
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCC2CCCO2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C17H21N5O/c18-15-16(19-10-13-5-3-9-23-13)20-11-21-17(15)22-8-7-12-4-1-2-6-14(12)22/h1-2,4,6,11,13H,3,5,7-10,18H2,(H,19,20,21)
InChIKeyQVNKXAVGJIFFKR-UHFFFAOYSA-N
XLogP2.34
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylpiperidin-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542968
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
methyl 1-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 22543107
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 22543223
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22543071
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine (CID 22542915) is 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine is Nc1c(NCC2CCCO2)ncnc1N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is QVNKXAVGJIFFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-15-16(19-10-13-5-3-9-23-13)20-11-21-17(15)22-8-7-12-4-1-2-6-14(12)22/h1-2,4,6,11,13H,3,5,7-10,18H2,(H,19,20,21).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine?
6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 311.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22542915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).