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

C12H17F3N4O2 — CID 106215099

IUPAC6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2(C(F)(F)F)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17F3N4O2/c1-6(2)5-19-8(16)7(9(20)17-10(19)21)18-11(3-4-11)12(13,14)15/h6,18H,3-5,16H2,1-2H3,(H,17,20,21)
InChIKeyAHNZBMQCZOWQEJ-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.28
Rot. Bonds4

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

6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione (PubChem CID 106215099) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
PubChem CID106215099
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2(C(F)(F)F)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17F3N4O2/c1-6(2)5-19-8(16)7(9(20)17-10(19)21)18-11(3-4-11)12(13,14)15/h6,18H,3-5,16H2,1-2H3,(H,17,20,21)
InChIKeyAHNZBMQCZOWQEJ-UHFFFAOYSA-N
XLogP1.28
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
CID 106214870
6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368693
6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933303
6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 104828680
6-amino-1-(2-methylpropyl)-5-(pentan-3-ylamino)pyrimidine-2,4-dione
CID 60649265
6-amino-5-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61043333
6-amino-5-[(3-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 114547851
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106158491
6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2432599
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106245801
6-amino-1-ethyl-5-[(1-methylcyclobutyl)amino]pyrimidine-2,4-dione
CID 115765441
6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione
CID 106382190

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione (CID 106215099) is 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NC2(C(F)(F)F)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione?
The InChIKey is AHNZBMQCZOWQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-6(2)5-19-8(16)7(9(20)17-10(19)21)18-11(3-4-11)12(13,14)15/h6,18H,3-5,16H2,1-2H3,(H,17,20,21).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione has a molecular weight of 306.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 106215099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).