4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C13H19F3N4 — CID 80954538

IUPAC4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C13H19F3N4/c1-3-4-10-18-11(17-2)7-12(19-10)20(9-5-6-9)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyIHCPTDZSGBLQEK-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.00
Rot. Bonds6

About 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80954538) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80954538
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C13H19F3N4/c1-3-4-10-18-11(17-2)7-12(19-10)20(9-5-6-9)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyIHCPTDZSGBLQEK-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954276
6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718099
2-[cyclopentyl-[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80942549
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815269
4-N-cyclohexyl-4-N,2-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934243
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80941086
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80946119
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967655
6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954728
2-ethyl-4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80934216

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80954538) is 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCc1nc(NC)cc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is IHCPTDZSGBLQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-4-10-18-11(17-2)7-12(19-10)20(9-5-6-9)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80954538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).