2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine

C20H20F3N5O — CID 162358743

IUPAC2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1nc(-c2ccnc(N(C)C)c2)nc(Nc2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C20H20F3N5O/c1-12-5-7-14(8-6-12)25-18-16(20(21,22)23)19(29-4)27-17(26-18)13-9-10-24-15(11-13)28(2)3/h5-11H,1-4H3,(H,25,26,27)
InChIKeyGWDGDEBJRHOMSA-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.68
Rot. Bonds5

About 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine

2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 162358743) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID162358743
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1nc(-c2ccnc(N(C)C)c2)nc(Nc2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C20H20F3N5O/c1-12-5-7-14(8-6-12)25-18-16(20(21,22)23)19(29-4)27-17(26-18)13-9-10-24-15(11-13)28(2)3/h5-11H,1-4H3,(H,25,26,27)
InChIKeyGWDGDEBJRHOMSA-UHFFFAOYSA-N
XLogP4.68
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-(4-methylphenyl)-2-pyridazin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine
CID 178173716
6-methoxy-N-(4-methylphenyl)-2-(3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 162358746
6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine
CID 162358652
4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
CID 162358723
methyl 2-[4-methoxy-6-(4-methylphenyl)sulfanyl-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate
CID 162358709
4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
CID 162358682
3-[4-methoxy-6-(4-methylphenyl)sulfanyl-5-(trifluoromethyl)pyrimidin-2-yl]-1,2-oxazole
CID 178173721
4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
CID 178173695
4-N-(2-methoxy-5-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541980
N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine
CID 146200856
6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 44532601
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 162358743) is 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine is COc1nc(-c2ccnc(N(C)C)c2)nc(Nc2ccc(C)cc2)c1C(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GWDGDEBJRHOMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-12-5-7-14(8-6-12)25-18-16(20(21,22)23)19(29-4)27-17(26-18)13-9-10-24-15(11-13)28(2)3/h5-11H,1-4H3,(H,25,26,27).
What are the key properties of 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 403.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-pyridinyl]-6-methoxy-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 162358743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).