N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H20F3N5O — CID 133386525

IUPACN-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CN(C)CCO1
InChIInChI=1S/C17H20F3N5O/c1-11(13-10-25(2)7-8-26-13)22-15-9-14(17(18,19)20)23-16(24-15)12-3-5-21-6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,22,23,24)
InChIKeyKEESWJCFAFQDGA-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.69
Rot. Bonds4

About N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133386525) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133386525
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CN(C)CCO1
InChIInChI=1S/C17H20F3N5O/c1-11(13-10-25(2)7-8-26-13)22-15-9-14(17(18,19)20)23-16(24-15)12-3-5-21-6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,22,23,24)
InChIKeyKEESWJCFAFQDGA-UHFFFAOYSA-N
XLogP2.69
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Enasidenib
CID 89683805
Buparlisib
CID 16654980
Bimiralisib
CID 58507717
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Sra-737
CID 72165232
Alnodesertib
CID 145766632
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133386525) is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is CC(Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CN(C)CCO1.
What is the InChIKey of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KEESWJCFAFQDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-11(13-10-25(2)7-8-26-13)22-15-9-14(17(18,19)20)23-16(24-15)12-3-5-21-6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 367.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133386525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).