5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine

C12H22BrN5 — CID 82949363

IUPAC5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC(C)CN(C)C)n1
InChIInChI=1S/C12H22BrN5/c1-5-6-14-12-15-7-10(13)11(17-12)16-9(2)8-18(3)4/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16,17)
InChIKeyLYEKJAMCJJEIET-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.42
Rot. Bonds7

About 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine

5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 82949363) has the molecular formula C12H22BrN5 and a molecular weight of 316.25 g/mol. Its IUPAC name is 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID82949363
Molecular FormulaC12H22BrN5
Molecular Weight316.25 g/mol
Exact Mass315.11
IUPAC Name5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC(C)CN(C)C)n1
InChIInChI=1S/C12H22BrN5/c1-5-6-14-12-15-7-10(13)11(17-12)16-9(2)8-18(3)4/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16,17)
InChIKeyLYEKJAMCJJEIET-UHFFFAOYSA-N
XLogP2.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347577
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
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-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine (CID 82949363) is 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NC(C)CN(C)C)n1.
What is the InChIKey of 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is LYEKJAMCJJEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5/c1-5-6-14-12-15-7-10(13)11(17-12)16-9(2)8-18(3)4/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 316.25 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 82949363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).