6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine

C13H19BrN6 — CID 106463766

IUPAC6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(-c2c(Br)nnn2C)nc(CCC)n1
InChIInChI=1S/C13H19BrN6/c1-4-6-10-16-9(8-11(17-10)15-7-5-2)12-13(14)18-19-20(12)3/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyMFCOMZUTYQSUPC-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.81
Rot. Bonds6

About 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine

6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine (PubChem CID 106463766) has the molecular formula C13H19BrN6 and a molecular weight of 339.24 g/mol. Its IUPAC name is 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine
PubChem CID106463766
Molecular FormulaC13H19BrN6
Molecular Weight339.24 g/mol
Exact Mass338.09
IUPAC Name6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(-c2c(Br)nnn2C)nc(CCC)n1
InChIInChI=1S/C13H19BrN6/c1-4-6-10-16-9(8-11(17-10)15-7-5-2)12-13(14)18-19-20(12)3/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyMFCOMZUTYQSUPC-UHFFFAOYSA-N
XLogP2.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine
CID 106463819
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine
CID 80943054
2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892
2-[2-(dimethylamino)ethyl]-N,6-dipropylpyrimidin-4-amine
CID 115346995
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 102807842

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine (CID 106463766) is 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(-c2c(Br)nnn2C)nc(CCC)n1.
What is the InChIKey of 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine?
The InChIKey is MFCOMZUTYQSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN6/c1-4-6-10-16-9(8-11(17-10)15-7-5-2)12-13(14)18-19-20(12)3/h8H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine?
6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine has a molecular weight of 339.24 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 106463766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).