5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine

C10H16BrN3 — CID 66306541

IUPAC5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC)nc(NC)c1Br
InChIInChI=1S/C10H16BrN3/c1-4-6-7-9(11)10(12-3)14-8(5-2)13-7/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyMPRISYLPUMXJSE-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.80
Rot. Bonds4

About 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66306541) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66306541
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC)nc(NC)c1Br
InChIInChI=1S/C10H16BrN3/c1-4-6-7-9(11)10(12-3)14-8(5-2)13-7/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyMPRISYLPUMXJSE-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66307338
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742
5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66296714
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
5-bromo-6-ethyl-N-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964336
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine (CID 66306541) is 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(CC)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is MPRISYLPUMXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-4-6-7-9(11)10(12-3)14-8(5-2)13-7/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 258.16 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).