N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

C12H18F3N5O — CID 114565571

IUPACN-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESCNc1nc(NCC(=O)NC(C)(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-11(2,3)20-9(21)6-17-8-5-7(12(13,14)15)18-10(16-4)19-8/h5H,6H2,1-4H3,(H,20,21)(H2,16,17,18,19)
InChIKeyQVCSOYMKSZKYNT-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.86
Rot. Bonds4

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

N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (PubChem CID 114565571) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
PubChem CID114565571
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESCNc1nc(NCC(=O)NC(C)(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-11(2,3)20-9(21)6-17-8-5-7(12(13,14)15)18-10(16-4)19-8/h5H,6H2,1-4H3,(H,20,21)(H2,16,17,18,19)
InChIKeyQVCSOYMKSZKYNT-UHFFFAOYSA-N
XLogP1.86
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
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
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-(1-methylethyl)-
CID 3061667
N-cyclopropyl-4-(6-methyl-2-propyl-4-pyrimidinyl)-2-piperazinecarboxamide
CID 56903950
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
(4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-L-prolinamide
CID 70776865
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 90655031

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (CID 114565571) is N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is CNc1nc(NCC(=O)NC(C)(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The InChIKey is QVCSOYMKSZKYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-11(2,3)20-9(21)6-17-8-5-7(12(13,14)15)18-10(16-4)19-8/h5H,6H2,1-4H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide has a molecular weight of 305.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 114565571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).