5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine

C12H19BrN4 — CID 114071957

IUPAC5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CCC2)c1Br
InChIInChI=1S/C12H19BrN4/c1-2-6-14-11-10(13)12(17-8-16-11)15-7-9-4-3-5-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyLFDJYASELGWUNE-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.27
Rot. Bonds6

About 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine

5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 114071957) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID114071957
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CCC2)c1Br
InChIInChI=1S/C12H19BrN4/c1-2-6-14-11-10(13)12(17-8-16-11)15-7-9-4-3-5-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyLFDJYASELGWUNE-UHFFFAOYSA-N
XLogP3.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072829
5-bromo-6-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 114072331
5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114072016
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80791601
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine (CID 114071957) is 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC2CCC2)c1Br.
What is the InChIKey of 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LFDJYASELGWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-2-6-14-11-10(13)12(17-8-16-11)15-7-9-4-3-5-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine?
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 299.22 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114071957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).