4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C13H19F3N4 — CID 80982487

IUPAC4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H19F3N4/c1-7(2)11-18-10(17)8(3)12(19-11)20(9-4-5-9)6-13(14,15)16/h7,9H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeySIHPTXAJSKGOSJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.02
Rot. Bonds4

About 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80982487) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80982487
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H19F3N4/c1-7(2)11-18-10(17)8(3)12(19-11)20(9-4-5-9)6-13(14,15)16/h7,9H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeySIHPTXAJSKGOSJ-UHFFFAOYSA-N
XLogP3.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dicyclopropyl-5-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4-amine
CID 44409462
N,2-dicyclopropyl-6-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 44409463
N,2-dicyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 44409755
6-(azepan-1-yl)-N-cyclopropyl-2-isopropyl-5-methylpyrimidin-4-amine
CID 44409956
2-Cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine
CID 123397292
2-Tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)-5-methanimidoylpyrimidin-4-amine
CID 129044824
5-Methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride
CID 141471366
5-Methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 141471367
[4-Amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium
CID 163969482
4-N-(2,2-difluoroethyl)-5-methanimidoyl-4-N-methylpyrimidine-2,4,6-triamine
CID 178106065
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55231617
6-chloro-2,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 63727815

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80982487) is 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is SIHPTXAJSKGOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-7(2)11-18-10(17)8(3)12(19-11)20(9-4-5-9)6-13(14,15)16/h7,9H,4-6H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80982487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).