N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C15H17F3N4 — CID 56863677

IUPACN-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cccnc1C(C)Nc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C15H17F3N4/c1-10-4-3-8-19-13(10)11(2)21-14-20-9-6-12(22-14)5-7-15(16,17)18/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,20,21,22)
InChIKeyVFZOEKHHWUJZNF-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.85
Rot. Bonds5

About N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56863677) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56863677
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC NameN-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cccnc1C(C)Nc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C15H17F3N4/c1-10-4-3-8-19-13(10)11(2)21-14-20-9-6-12(22-14)5-7-15(16,17)18/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,20,21,22)
InChIKeyVFZOEKHHWUJZNF-UHFFFAOYSA-N
XLogP3.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
SB-220025
CID 5164
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Amprolium ion
CID 2178
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56863677) is N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is Cc1cccnc1C(C)Nc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is VFZOEKHHWUJZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-10-4-3-8-19-13(10)11(2)21-14-20-9-6-12(22-14)5-7-15(16,17)18/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,20,21,22).
What are the key properties of N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 310.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-2-pyridinyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56863677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).