N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C16H17F3N6 — CID 126917048

IUPACN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CN(c3ccc(C4CC4)nn3)C2)n1
InChIInChI=1S/C16H17F3N6/c17-16(18,19)13-5-6-20-15(22-13)21-7-10-8-25(9-10)14-4-3-12(23-24-14)11-1-2-11/h3-6,10-11H,1-2,7-9H2,(H,20,21,22)
InChIKeyWJAOJEBXGDDUIZ-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.71
Rot. Bonds5

About N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 126917048) has the molecular formula C16H17F3N6 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID126917048
Molecular FormulaC16H17F3N6
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CN(c3ccc(C4CC4)nn3)C2)n1
InChIInChI=1S/C16H17F3N6/c17-16(18,19)13-5-6-20-15(22-13)21-7-10-8-25(9-10)14-4-3-12(23-24-14)11-1-2-11/h3-6,10-11H,1-2,7-9H2,(H,20,21,22)
InChIKeyWJAOJEBXGDDUIZ-UHFFFAOYSA-N
XLogP2.71
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
(S)-5-Fluoro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
CID 24949552
3-[3-(Trifluoromethyl)phenyl]-4-[2-[[(S)-alpha-methylbenzyl]amino]-4-pyrimidinyl]-6-(dimethylamino)pyridazine
CID 44374706
US11124500, Example 13
CID 155385391
N,N,N'-trimethyl-N'-[5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]ethane-1,2-diamine
CID 10164994
N-[(1S)-1-phenylethyl]-4-[6-piperidin-1-yl-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine
CID 10278863
4-[6-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 10279557
(2S)-3-phenyl-1-N-[5-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]propane-1,2-diamine
CID 44402183
2-methyl-3-phenyl-1-N-[5-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]propane-1,2-diamine
CID 44402321
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 70691734
2-N-[(6-amino-3-pyridinyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 122178556
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 122178558

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 126917048) is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCC2CN(c3ccc(C4CC4)nn3)C2)n1.
What is the InChIKey of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WJAOJEBXGDDUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6/c17-16(18,19)13-5-6-20-15(22-13)21-7-10-8-25(9-10)14-4-3-12(23-24-14)11-1-2-11/h3-6,10-11H,1-2,7-9H2,(H,20,21,22).
What are the key properties of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 350.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 126917048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).