4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine

C19H17N5O2 — CID 118488435

IUPAC4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C19H17N5O2/c1-12-18(13(2)21-10-20-12)15-7-6-14(9-17(15)25-3)26-19-16-5-4-8-24(16)23-11-22-19/h4-11H,1-3H3
InChIKeyPPCXCYKSLNQFBM-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.60
Rot. Bonds4

About 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 118488435) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID118488435
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C19H17N5O2/c1-12-18(13(2)21-10-20-12)15-7-6-14(9-17(15)25-3)26-19-16-5-4-8-24(16)23-11-22-19/h4-11H,1-3H3
InChIKeyPPCXCYKSLNQFBM-UHFFFAOYSA-N
XLogP3.60
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 23648674
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CID 23648644
CID 23648644
CID 23648676
CID 23648676
CID 9865768
CID 9865768
CID 57399415
CID 57399415
CID 57406577
CID 57406577
CID 119025603
CID 119025603
CID 18406910
CID 18406910
CID 18406914
CID 18406914
CID 3830622
CID 3830622
CID 44186995
CID 44186995
CID 44307737
CID 44307737

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine (CID 118488435) is 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine is COc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)ncnc1C.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is PPCXCYKSLNQFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-18(13(2)21-10-20-12)15-7-6-14(9-17(15)25-3)26-19-16-5-4-8-24(16)23-11-22-19/h4-11H,1-3H3.
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine?
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 347.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 118488435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).