N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine

C13H13F3N4 — CID 114563224

IUPACN-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(-c2ccncc2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4/c1-2-5-18-12-19-10(9-3-6-17-7-4-9)8-11(20-12)13(14,15)16/h3-4,6-8H,2,5H2,1H3,(H,18,19,20)
InChIKeyTVNMIXUWDCINBP-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.38
Rot. Bonds4

About N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine

N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563224) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563224
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(-c2ccncc2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4/c1-2-5-18-12-19-10(9-3-6-17-7-4-9)8-11(20-12)13(14,15)16/h3-4,6-8H,2,5H2,1H3,(H,18,19,20)
InChIKeyTVNMIXUWDCINBP-UHFFFAOYSA-N
XLogP3.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563363
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563476
4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
CID 70871060
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 164627594
2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565395
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776
4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821825
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565088
4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566221

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563224) is N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine is CCCNc1nc(-c2ccncc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is TVNMIXUWDCINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-2-5-18-12-19-10(9-3-6-17-7-4-9)8-11(20-12)13(14,15)16/h3-4,6-8H,2,5H2,1H3,(H,18,19,20).
What are the key properties of N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine?
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 282.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).