(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone

C16H17ClN4O — CID 138012732

IUPAC(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1nc(C)cc(C(=O)N2c3ccc(Cl)cc3CC2C)n1
InChIInChI=1S/C16H17ClN4O/c1-9-6-13(20-16(18-3)19-9)15(22)21-10(2)7-11-8-12(17)4-5-14(11)21/h4-6,8,10H,7H2,1-3H3,(H,18,19,20)
InChIKeyOUIOZHNNINTPTQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.07
Rot. Bonds2

About (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone

(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone (PubChem CID 138012732) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
PubChem CID138012732
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1nc(C)cc(C(=O)N2c3ccc(Cl)cc3CC2C)n1
InChIInChI=1S/C16H17ClN4O/c1-9-6-13(20-16(18-3)19-9)15(22)21-10(2)7-11-8-12(17)4-5-14(11)21/h4-6,8,10H,7H2,1-3H3,(H,18,19,20)
InChIKeyOUIOZHNNINTPTQ-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone
CID 138012731
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112850083
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325288
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109330593
N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide
CID 166408491
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124736015
[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124736013
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone (CID 138012732) is (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone is CNc1nc(C)cc(C(=O)N2c3ccc(Cl)cc3CC2C)n1.
What is the InChIKey of (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The InChIKey is OUIOZHNNINTPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-9-6-13(20-16(18-3)19-9)15(22)21-10(2)7-11-8-12(17)4-5-14(11)21/h4-6,8,10H,7H2,1-3H3,(H,18,19,20).
What are the key properties of (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone has a molecular weight of 316.79 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 138012732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).