5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C10H14BrF3N4 — CID 114072281

IUPAC5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCC(F)(F)F)c1Br
InChIInChI=1S/C10H14BrF3N4/c1-2-4-15-8-7(11)9(18-6-17-8)16-5-3-10(12,13)14/h6H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyRDINEANVLHOGKC-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.43
Rot. Bonds6

About 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 114072281) has the molecular formula C10H14BrF3N4 and a molecular weight of 327.15 g/mol. Its IUPAC name is 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID114072281
Molecular FormulaC10H14BrF3N4
Molecular Weight327.15 g/mol
Exact Mass326.04
IUPAC Name5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCC(F)(F)F)c1Br
InChIInChI=1S/C10H14BrF3N4/c1-2-4-15-8-7(11)9(18-6-17-8)16-5-3-10(12,13)14/h6H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyRDINEANVLHOGKC-UHFFFAOYSA-N
XLogP3.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-fluoro-N-(3-fluoro-3-methylbutyl)pyrimidin-4-amine
CID 164651900
5-bromo-4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072758
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794819
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
5-bromo-4-N-(2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072744
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106411995
5-bromo-6-phenyl-N-propylpyrimidin-4-amine
CID 66294940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 114072281) is 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is CCCNc1ncnc(NCCC(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is RDINEANVLHOGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF3N4/c1-2-4-15-8-7(11)9(18-6-17-8)16-5-3-10(12,13)14/h6H,2-5H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 327.15 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114072281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).