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

C14H20BrN5 — CID 66296529

IUPAC5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cncn2C)nc(CCC)c1Br
InChIInChI=1S/C14H20BrN5/c1-4-6-10-12(15)14(17-7-5-2)19-13(18-10)11-8-16-9-20(11)3/h8-9H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyZZVLDFNLQDWROF-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.41
Rot. Bonds6

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

5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 66296529) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
PubChem CID66296529
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC Name5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cncn2C)nc(CCC)c1Br
InChIInChI=1S/C14H20BrN5/c1-4-6-10-12(15)14(17-7-5-2)19-13(18-10)11-8-16-9-20(11)3/h8-9H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyZZVLDFNLQDWROF-UHFFFAOYSA-N
XLogP3.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190461
5-bromo-2-(3-cyclopropylimidazol-4-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66295755
N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine
CID 66117684
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 82886194
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
CID 66312839
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557383
5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305962

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine (CID 66296529) is 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(-c2cncn2C)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is ZZVLDFNLQDWROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-4-6-10-12(15)14(17-7-5-2)19-13(18-10)11-8-16-9-20(11)3/h8-9H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine?
5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 338.25 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 66296529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).