5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine

C19H17FN6O2 — CID 67419464

IUPAC5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc2[nH]nc(Nc3nc(N)ncc3-c3ccc(F)c(OC)c3)c2c1
InChIInChI=1S/C19H17FN6O2/c1-27-11-4-6-15-12(8-11)18(26-25-15)23-17-13(9-22-19(21)24-17)10-3-5-14(20)16(7-10)28-2/h3-9H,1-2H3,(H4,21,22,23,24,25,26)
InChIKeyVJKXLUCCFBHFPV-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.50
Rot. Bonds5

About 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine

5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 67419464) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
PubChem CID67419464
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc2[nH]nc(Nc3nc(N)ncc3-c3ccc(F)c(OC)c3)c2c1
InChIInChI=1S/C19H17FN6O2/c1-27-11-4-6-15-12(8-11)18(26-25-15)23-17-13(9-22-19(21)24-17)10-3-5-14(20)16(7-10)28-2/h3-9H,1-2H3,(H4,21,22,23,24,25,26)
InChIKeyVJKXLUCCFBHFPV-UHFFFAOYSA-N
XLogP3.50
TPSA110.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Acrizanib
CID 59394698
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
MLi-2
CID 78319901
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 9822610
Sgc-clk-1
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646051

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine (CID 67419464) is 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine is COc1ccc2[nH]nc(Nc3nc(N)ncc3-c3ccc(F)c(OC)c3)c2c1.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is VJKXLUCCFBHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-27-11-4-6-15-12(8-11)18(26-25-15)23-17-13(9-22-19(21)24-17)10-3-5-14(20)16(7-10)28-2/h3-9H,1-2H3,(H4,21,22,23,24,25,26).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 380.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67419464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).