5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

C14H13F3N6O — CID 150384872

IUPAC5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(C(F)(F)F)c(OCCCN)n2)cn1
InChIInChI=1S/C14H13F3N6O/c15-14(16,17)11-8-21-13(23-12(11)24-5-1-4-18)22-10-3-2-9(6-19)20-7-10/h2-3,7-8H,1,4-5,18H2,(H,21,22,23)
InChIKeyHAMJSFOTNINPFN-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.23
Rot. Bonds6

About 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 150384872) has the molecular formula C14H13F3N6O and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
PubChem CID150384872
Molecular FormulaC14H13F3N6O
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC Name5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(C(F)(F)F)c(OCCCN)n2)cn1
InChIInChI=1S/C14H13F3N6O/c15-14(16,17)11-8-21-13(23-12(11)24-5-1-4-18)22-10-3-2-9(6-19)20-7-10/h2-3,7-8H,1,4-5,18H2,(H,21,22,23)
InChIKeyHAMJSFOTNINPFN-UHFFFAOYSA-N
XLogP2.23
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150367898
5-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
CID 62707276
5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
N-(4-butan-2-ylphenyl)-4-ethoxy-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-butan-2-ylphenyl)-4-propoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 158504862
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
4-[[4-(3-aminopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 21081128
4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 172680342
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818919
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 113320557
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (CID 150384872) is 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2ncc(C(F)(F)F)c(OCCCN)n2)cn1.
What is the InChIKey of 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is HAMJSFOTNINPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O/c15-14(16,17)11-8-21-13(23-12(11)24-5-1-4-18)22-10-3-2-9(6-19)20-7-10/h2-3,7-8H,1,4-5,18H2,(H,21,22,23).
What are the key properties of 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 338.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 150384872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).