6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C22H22FN3O — CID 123676574

IUPAC6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)c1F
InChIInChI=1S/C22H22FN3O/c1-14-24-19(17-10-6-12-20(27-2)22(17)23)13-21(25-14)26-18-11-5-8-15-7-3-4-9-16(15)18/h3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3,(H,24,25,26)
InChIKeyADGHUDCTYAOTEC-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.09
Rot. Bonds4

About 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 123676574) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID123676574
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)c1F
InChIInChI=1S/C22H22FN3O/c1-14-24-19(17-10-6-12-20(27-2)22(17)23)13-21(25-14)26-18-11-5-8-15-7-3-4-9-16(15)18/h3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3,(H,24,25,26)
InChIKeyADGHUDCTYAOTEC-UHFFFAOYSA-N
XLogP5.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-5-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123999726
2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024314
2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614
6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123894871
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 123625262
6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123482750
4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
CID 127034668
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63590242
2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile
CID 127024139
6-(3-amino-4-chlorophenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127034672
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 123676574) is 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is COc1cccc(-c2cc(NC3CCCc4ccccc43)nc(C)n2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is ADGHUDCTYAOTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-14-24-19(17-10-6-12-20(27-2)22(17)23)13-21(25-14)26-18-11-5-8-15-7-3-4-9-16(15)18/h3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 363.44 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 123676574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).