N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

C12H18F3N5O — CID 106918664

IUPACN,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C12H18F3N5O/c1-7(10(21)16-2)6-20(4)9-5-8(12(13,14)15)18-11(17-3)19-9/h5,7H,6H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyYIDMYHYJIZBGGI-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.36
Rot. Bonds5

About N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106918664) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106918664
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C12H18F3N5O/c1-7(10(21)16-2)6-20(4)9-5-8(12(13,14)15)18-11(17-3)19-9/h5,7H,6H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyYIDMYHYJIZBGGI-UHFFFAOYSA-N
XLogP1.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpiperazine-1-carboxamide
CID 73669717
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-ethylpiperazine-1-carboxamide
CID 73669718
4-propan-2-yl-N-[4-[4-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]piperazine-1-carboxamide
CID 137554067
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
N-cyclooctyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809897
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-ethyl-
CID 3061666
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-(1-methylethyl)-
CID 3061667
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809844

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106918664) is N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CNC(=O)C(C)CN(C)c1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is YIDMYHYJIZBGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-7(10(21)16-2)6-20(4)9-5-8(12(13,14)15)18-11(17-3)19-9/h5,7H,6H2,1-4H3,(H,16,21)(H,17,18,19).
What are the key properties of N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 305.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106918664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).