2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

C23H22N6 — CID 20826921

IUPAC2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCC1(C)CNc2cc(Nc3nccc(Nc4cnc5ccccc5c4)n3)ccc21
InChIInChI=1S/C23H22N6/c1-23(2)14-26-20-12-16(7-8-18(20)23)28-22-24-10-9-21(29-22)27-17-11-15-5-3-4-6-19(15)25-13-17/h3-13,26H,14H2,1-2H3,(H2,24,27,28,29)
InChIKeyWKWOEUWLQQZDGN-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.22
Rot. Bonds4

About 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 20826921) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID20826921
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCC1(C)CNc2cc(Nc3nccc(Nc4cnc5ccccc5c4)n3)ccc21
InChIInChI=1S/C23H22N6/c1-23(2)14-26-20-12-16(7-8-18(20)23)28-22-24-10-9-21(29-22)27-17-11-15-5-3-4-6-19(15)25-13-17/h3-13,26H,14H2,1-2H3,(H2,24,27,28,29)
InChIKeyWKWOEUWLQQZDGN-UHFFFAOYSA-N
XLogP5.22
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
2-N-(4-nitrophenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826973
2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826934
4-N-quinolin-3-yl-2-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 20826946
N,N-dimethylcyclobutanamine;molecular hydrogen;4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenol
CID 176696423
3,3-dimethyl-N-phenyl-1,2-dihydropyrrolo[3,2-c]pyridin-6-amine;hydrochloride
CID 70981570
N,N-dimethylcyclohexanamine;2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenol;molecular hydrogen
CID 176696828
2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile
CID 107544362
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
2-N-(3H-benzimidazol-5-yl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 86210860
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
CID 11682965
2-(quinolin-3-ylamino)pyridine-4-carbonitrile
CID 62783439

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 20826921) is 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is CC1(C)CNc2cc(Nc3nccc(Nc4cnc5ccccc5c4)n3)ccc21.
What is the InChIKey of 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is WKWOEUWLQQZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-23(2)14-26-20-12-16(7-8-18(20)23)28-22-24-10-9-21(29-22)27-17-11-15-5-3-4-6-19(15)25-13-17/h3-13,26H,14H2,1-2H3,(H2,24,27,28,29).
What are the key properties of 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 382.47 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 20826921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).