8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

C21H19F3N4O2 — CID 11951907

IUPAC8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1nc(C(F)(F)F)ccc1-c1cc(Nc2cccc3c2CC(O)CC3)ncn1
InChIInChI=1S/C21H19F3N4O2/c1-30-20-14(7-8-18(28-20)21(22,23)24)17-10-19(26-11-25-17)27-16-4-2-3-12-5-6-13(29)9-15(12)16/h2-4,7-8,10-11,13,29H,5-6,9H2,1H3,(H,25,26,27)
InChIKeyWQPIVWIZXZTYKQ-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.16
Rot. Bonds4

About 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 11951907) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID11951907
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1nc(C(F)(F)F)ccc1-c1cc(Nc2cccc3c2CC(O)CC3)ncn1
InChIInChI=1S/C21H19F3N4O2/c1-30-20-14(7-8-18(28-20)21(22,23)24)17-10-19(26-11-25-17)27-16-4-2-3-12-5-6-13(29)9-15(12)16/h2-4,7-8,10-11,13,29H,5-6,9H2,1H3,(H,25,26,27)
InChIKeyWQPIVWIZXZTYKQ-UHFFFAOYSA-N
XLogP4.16
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 11951907) is 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is COc1nc(C(F)(F)F)ccc1-c1cc(Nc2cccc3c2CC(O)CC3)ncn1.
What is the InChIKey of 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is WQPIVWIZXZTYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-30-20-14(7-8-18(28-20)21(22,23)24)17-10-19(26-11-25-17)27-16-4-2-3-12-5-6-13(29)9-15(12)16/h2-4,7-8,10-11,13,29H,5-6,9H2,1H3,(H,25,26,27).
What are the key properties of 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 416.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 11951907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).