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

C10H15F3N4 — CID 80957003

IUPAC6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C10H15F3N4/c1-6(2)9-16-7(14-3)4-8(17-9)15-5-10(11,12)13/h4,6H,5H2,1-3H3,(H2,14,15,16,17)
InChIKeyIIARRYURRLEZHE-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.62
Rot. Bonds4

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

6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80957003) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80957003
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C10H15F3N4/c1-6(2)9-16-7(14-3)4-8(17-9)15-5-10(11,12)13/h4,6H,5H2,1-3H3,(H2,14,15,16,17)
InChIKeyIIARRYURRLEZHE-UHFFFAOYSA-N
XLogP2.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80957003) is 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CNc1cc(NCC(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is IIARRYURRLEZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-6(2)9-16-7(14-3)4-8(17-9)15-5-10(11,12)13/h4,6H,5H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80957003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).