4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine

C18H16ClFN6 — CID 66759074

IUPAC4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine
SMILESCN1NCc2cc(Nc3ncc(F)c(Nc4ccc(Cl)cc4)n3)ccc21
InChIInChI=1S/C18H16ClFN6/c1-26-16-7-6-14(8-11(16)9-22-26)24-18-21-10-15(20)17(25-18)23-13-4-2-12(19)3-5-13/h2-8,10,22H,9H2,1H3,(H2,21,23,24,25)
InChIKeyGAIKKJVAXBUJOV-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.21
Rot. Bonds4

About 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 66759074) has the molecular formula C18H16ClFN6 and a molecular weight of 370.82 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine
PubChem CID66759074
Molecular FormulaC18H16ClFN6
Molecular Weight370.82 g/mol
Exact Mass370.11
IUPAC Name4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine
SMILESCN1NCc2cc(Nc3ncc(F)c(Nc4ccc(Cl)cc4)n3)ccc21
InChIInChI=1S/C18H16ClFN6/c1-26-16-7-6-14(8-11(16)9-22-26)24-18-21-10-15(20)17(25-18)23-13-4-2-12(19)3-5-13/h2-8,10,22H,9H2,1H3,(H2,21,23,24,25)
InChIKeyGAIKKJVAXBUJOV-UHFFFAOYSA-N
XLogP4.21
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-difluorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-6-yl)pyrimidine-2,4-diamine
CID 67277033
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-2,3-dihydroindazol-6-amine
CID 87335669
3-[5-[[4-(3,4-difluoroanilino)-5-fluoropyrimidin-2-yl]amino]-2,3-dihydroindazol-1-yl]propan-1-ol
CID 67278124
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
methyl 2-[5-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-2,3-dihydroindazol-1-yl]acetate
CID 66759065
methyl 2-[6-[[5-fluoro-2-[[1-(2-methoxy-2-oxoethyl)-2,3-dihydroindazol-6-yl]amino]pyrimidin-4-yl]amino]-2,3-dihydroindazol-1-yl]acetate
CID 67233468
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
methyl 2-[6-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-2,3-dihydroindazol-1-yl]acetate
CID 66758708
5-fluoro-4-N-methyl-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrimidine-2,4-diamine
CID 145095496
4-[[5-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide
CID 163214027
N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80926308

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine (CID 66759074) is 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine is CN1NCc2cc(Nc3ncc(F)c(Nc4ccc(Cl)cc4)n3)ccc21.
What is the InChIKey of 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is GAIKKJVAXBUJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN6/c1-26-16-7-6-14(8-11(16)9-22-26)24-18-21-10-15(20)17(25-18)23-13-4-2-12(19)3-5-13/h2-8,10,22H,9H2,1H3,(H2,21,23,24,25).
What are the key properties of 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 370.82 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66759074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).