5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

C20H18ClN5O — CID 11740476

IUPAC5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCc1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2Cl)c1
InChIInChI=1S/C20H18ClN5O/c1-12-3-2-4-13(7-12)10-22-19-16(21)11-23-20(26-19)24-15-5-6-17-14(8-15)9-18(27)25-17/h2-8,11H,9-10H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyMAJIBHBFFWFLTQ-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.29
Rot. Bonds5

About 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 11740476) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID11740476
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCc1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2Cl)c1
InChIInChI=1S/C20H18ClN5O/c1-12-3-2-4-13(7-12)10-22-19-16(21)11-23-20(26-19)24-15-5-6-17-14(8-15)9-18(27)25-17/h2-8,11H,9-10H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyMAJIBHBFFWFLTQ-UHFFFAOYSA-N
XLogP4.29
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 10027202
2-[2-[[5-chloro-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide
CID 134224346
5-[[5-bromo-4-[(2,4-difluorophenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 57477075
N-methyl-N-[3-[methyl(methylsulfonyl)amino]-5-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 11996007
5-[[4-[[2-(methylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 159617040
5-chloro-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790786
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
CID 141388735
N-methyl-N-[3-(methylsulfonylmethylamino)-5-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 11642972
2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonic acid
CID 11697374
5-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115148571
5-[[4-[2-(2-hydroxyphenyl)ethylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 90867504

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 11740476) is 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is Cc1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2Cl)c1.
What is the InChIKey of 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is MAJIBHBFFWFLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-12-3-2-4-13(7-12)10-22-19-16(21)11-23-20(26-19)24-15-5-6-17-14(8-15)9-18(27)25-17/h2-8,11H,9-10H2,1H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 379.85 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11740476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).