N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

C12H16F3N5O — CID 114564651

IUPACN-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESCNc1nc(N(C)CC(=O)NC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-16-11-18-8(12(13,14)15)5-9(19-11)20(2)6-10(21)17-7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyUOXKNRHTNIETGT-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.25
Rot. Bonds5

About N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (PubChem CID 114564651) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
PubChem CID114564651
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC NameN-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESCNc1nc(N(C)CC(=O)NC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-16-11-18-8(12(13,14)15)5-9(19-11)20(2)6-10(21)17-7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyUOXKNRHTNIETGT-UHFFFAOYSA-N
XLogP1.25
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564053
N-cyclopropyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]acetamide
CID 106775558
N-cyclopropyl-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80960767
N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106918664
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80820565
2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 102875645
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
CID 80821198
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
N-cyclopropyl-2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80934592
N-cyclopropyl-2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 80820491
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]acetamide
CID 80941047
N-cyclopropyl-2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]acetamide
CID 80947351

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (CID 114564651) is N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is CNc1nc(N(C)CC(=O)NC2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The InChIKey is UOXKNRHTNIETGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-16-11-18-8(12(13,14)15)5-9(19-11)20(2)6-10(21)17-7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H,17,21)(H,16,18,19).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide has a molecular weight of 303.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 114564651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).