3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol

C19H16FN5O2 — CID 22060324

IUPAC3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol
SMILESOCc1cc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc2[nH]1
InChIInChI=1S/C19H16FN5O2/c20-16-9-21-19(25-18(16)23-12-2-1-3-15(27)8-12)24-13-4-5-17-11(6-13)7-14(10-26)22-17/h1-9,22,26-27H,10H2,(H2,21,23,24,25)
InChIKeyQVQXVWXLPYNKKU-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.78
Rot. Bonds5

About 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol

3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol (PubChem CID 22060324) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol
PubChem CID22060324
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol
SMILESOCc1cc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc2[nH]1
InChIInChI=1S/C19H16FN5O2/c20-16-9-21-19(25-18(16)23-12-2-1-3-15(27)8-12)24-13-4-5-17-11(6-13)7-14(10-26)22-17/h1-9,22,26-27H,10H2,(H2,21,23,24,25)
InChIKeyQVQXVWXLPYNKKU-UHFFFAOYSA-N
XLogP3.78
TPSA106.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol with MolForge

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Related Compounds

3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol
CID 22060886
3-[[2-(2H-1,4-benzoxazin-7-ylamino)-5-fluoropyrimidin-4-yl]amino]phenol
CID 66759945
[4-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenoxy]methyl N-methylcarbamate
CID 174489135
3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 22060808
4-[[5-fluoro-2-(4-fluoroanilino)pyrimidin-4-yl]amino]phenol
CID 90489150
6-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 22060318
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
tert-butyl N-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]carbamate
CID 155926735
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
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-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-2,3-dihydroindazol-1-yl]acetate
CID 66758708
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol (CID 22060324) is 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol is OCc1cc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc2[nH]1.
What is the InChIKey of 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol?
The InChIKey is QVQXVWXLPYNKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-16-9-21-19(25-18(16)23-12-2-1-3-15(27)8-12)24-13-4-5-17-11(6-13)7-14(10-26)22-17/h1-9,22,26-27H,10H2,(H2,21,23,24,25).
What are the key properties of 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol?
3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol has a molecular weight of 365.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 22060324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).