5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine

C10H17BrN4 — CID 80770925

IUPAC5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCC(CC)Nc1nc(NC)ncc1Br
InChIInChI=1S/C10H17BrN4/c1-4-7(5-2)14-9-8(11)6-13-10(12-3)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyFDNYRYXVXGWUPH-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.88
Rot. Bonds5

About 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine

5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine (PubChem CID 80770925) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
PubChem CID80770925
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCC(CC)Nc1nc(NC)ncc1Br
InChIInChI=1S/C10H17BrN4/c1-4-7(5-2)14-9-8(11)6-13-10(12-3)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyFDNYRYXVXGWUPH-UHFFFAOYSA-N
XLogP2.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846989
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163039
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine
CID 106026014
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837117
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-bromo-2-N-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine (CID 80770925) is 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine is CCC(CC)Nc1nc(NC)ncc1Br.
What is the InChIKey of 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The InChIKey is FDNYRYXVXGWUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-4-7(5-2)14-9-8(11)6-13-10(12-3)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine has a molecular weight of 273.18 g/mol, XLogP of 2.88, 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-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80770925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).