2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C16H17F3N4O — CID 112869941

IUPAC2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H17F3N4O/c1-11-20-14(10-15(21-11)23-5-7-24-8-6-23)22-13-4-2-3-12(9-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H,20,21,22)
InChIKeyRUQIKGKVKCGWKV-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.38
Rot. Bonds3

About 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 112869941) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID112869941
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H17F3N4O/c1-11-20-14(10-15(21-11)23-5-7-24-8-6-23)22-13-4-2-3-12(9-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H,20,21,22)
InChIKeyRUQIKGKVKCGWKV-UHFFFAOYSA-N
XLogP3.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112868540
N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869966
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 70674991
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70674637
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
CID 134807009
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
(4-nitrophenyl) N-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]carbamate
CID 141446829

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 112869941) is 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is RUQIKGKVKCGWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-11-20-14(10-15(21-11)23-5-7-24-8-6-23)22-13-4-2-3-12(9-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H,20,21,22).
What are the key properties of 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 338.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112869941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).