6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione

C20H27F3N4O2 — CID 34200466

IUPAC6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1ccc(C(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H27F3N4O2/c1-12(2)9-26(11-14-5-7-15(8-6-14)20(21,22)23)16-17(24)27(10-13(3)4)19(29)25-18(16)28/h5-8,12-13H,9-11,24H2,1-4H3,(H,25,28,29)
InChIKeyJDQQZTRCIVUOOE-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.46
Rot. Bonds7

About 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione (PubChem CID 34200466) has the molecular formula C20H27F3N4O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
PubChem CID34200466
Molecular FormulaC20H27F3N4O2
Molecular Weight412.46 g/mol
Exact Mass412.21
IUPAC Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1ccc(C(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H27F3N4O2/c1-12(2)9-26(11-14-5-7-15(8-6-14)20(21,22)23)16-17(24)27(10-13(3)4)19(29)25-18(16)28/h5-8,12-13H,9-11,24H2,1-4H3,(H,25,28,29)
InChIKeyJDQQZTRCIVUOOE-UHFFFAOYSA-N
XLogP3.46
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78860414
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4791309
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
CID 34200106
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 46582615
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534811
6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 56550716
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 46594509
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
CID 46594520
6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 78834389
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27204217
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione (CID 34200466) is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione is CC(C)CN(Cc1ccc(C(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione?
The InChIKey is JDQQZTRCIVUOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O2/c1-12(2)9-26(11-14-5-7-15(8-6-14)20(21,22)23)16-17(24)27(10-13(3)4)19(29)25-18(16)28/h5-8,12-13H,9-11,24H2,1-4H3,(H,25,28,29).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione has a molecular weight of 412.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 34200466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).