5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine

C14H25BrN4 — CID 80811705

IUPAC5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C14H25BrN4/c1-7-16-12-17-8-10(15)11(18-12)19-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H2,16,17,18,19)
InChIKeySFBBFHLVSXYYND-UHFFFAOYSA-N
MW329.29 g/mol
LogP4.30
Rot. Bonds5

About 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80811705) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine
PubChem CID80811705
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C14H25BrN4/c1-7-16-12-17-8-10(15)11(18-12)19-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H2,16,17,18,19)
InChIKeySFBBFHLVSXYYND-UHFFFAOYSA-N
XLogP4.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 114169916
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106901022
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine (CID 80811705) is 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NC(C)(C)CC(C)(C)C)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is SFBBFHLVSXYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-7-16-12-17-8-10(15)11(18-12)19-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 329.29 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80811705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).