6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine

C15H22BrN5 — CID 80943054

IUPAC6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(-n2nc(C)c(Br)c2C)nc(CCC)n1
InChIInChI=1S/C15H22BrN5/c1-5-7-12-18-13(17-8-6-2)9-14(19-12)21-11(4)15(16)10(3)20-21/h9H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyQQKANLIWGNSUNA-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.82
Rot. Bonds6

About 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine

6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine (PubChem CID 80943054) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine
PubChem CID80943054
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC Name6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(-n2nc(C)c(Br)c2C)nc(CCC)n1
InChIInChI=1S/C15H22BrN5/c1-5-7-12-18-13(17-8-6-2)9-14(19-12)21-11(4)15(16)10(3)20-21/h9H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyQQKANLIWGNSUNA-UHFFFAOYSA-N
XLogP3.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80942222
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
CID 80945243
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900536
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
6-(2,5-dimethylpiperidin-1-yl)-N,2-dipropylpyrimidin-4-amine
CID 80944214
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine
CID 80943776
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
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine (CID 80943054) is 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(-n2nc(C)c(Br)c2C)nc(CCC)n1.
What is the InChIKey of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine?
The InChIKey is QQKANLIWGNSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-5-7-12-18-13(17-8-6-2)9-14(19-12)21-11(4)15(16)10(3)20-21/h9H,5-8H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine?
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine has a molecular weight of 352.28 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80943054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).