5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine

C12H21BrN4 — CID 80846989

IUPAC5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)CC(C)Nc1nc(NC)ncc1Br
InChIInChI=1S/C12H21BrN4/c1-5-8(2)6-9(3)16-11-10(13)7-15-12(14-4)17-11/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeySWALDHAAJAHVFT-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.52
Rot. Bonds6

About 5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine

5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80846989) has the molecular formula C12H21BrN4 and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
PubChem CID80846989
Molecular FormulaC12H21BrN4
Molecular Weight301.23 g/mol
Exact Mass300.09
IUPAC Name5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)CC(C)Nc1nc(NC)ncc1Br
InChIInChI=1S/C12H21BrN4/c1-5-8(2)6-9(3)16-11-10(13)7-15-12(14-4)17-11/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeySWALDHAAJAHVFT-UHFFFAOYSA-N
XLogP3.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80847650
5-bromo-2-chloro-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 79072826
5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80770925
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
CID 82949363
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-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine (CID 80846989) is 5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine is CCC(C)CC(C)Nc1nc(NC)ncc1Br.
What is the InChIKey of 5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is SWALDHAAJAHVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4/c1-5-8(2)6-9(3)16-11-10(13)7-15-12(14-4)17-11/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 301.23 g/mol, XLogP of 3.52, 6 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-(4-methylhexan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80846989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).