4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine

C12H20F3N5 — CID 80815785

IUPAC4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(CC(F)(F)F)C(C)C)nc(N)n1
InChIInChI=1S/C12H20F3N5/c1-4-5-17-9-6-10(19-11(16)18-9)20(8(2)3)7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H3,16,17,18,19)
InChIKeyKQBPJBQZBVZOKW-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.66
Rot. Bonds6

About 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine

4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine (PubChem CID 80815785) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
PubChem CID80815785
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(CC(F)(F)F)C(C)C)nc(N)n1
InChIInChI=1S/C12H20F3N5/c1-4-5-17-9-6-10(19-11(16)18-9)20(8(2)3)7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H3,16,17,18,19)
InChIKeyKQBPJBQZBVZOKW-UHFFFAOYSA-N
XLogP2.66
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80806397
2-N-propan-2-yl-6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80814943
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
CID 80775715
4-N-methyl-2-methylsulfanyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791496
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine (CID 80815785) is 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine is CCCNc1cc(N(CC(F)(F)F)C(C)C)nc(N)n1.
What is the InChIKey of 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine?
The InChIKey is KQBPJBQZBVZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-4-5-17-9-6-10(19-11(16)18-9)20(8(2)3)7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine?
4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine has a molecular weight of 291.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80815785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).