5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine

C14H25BrN4 — CID 66301085

IUPAC5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCN(CC)CCc1nc(NC)c(Br)c(C(C)C)n1
InChIInChI=1S/C14H25BrN4/c1-6-19(7-2)9-8-11-17-13(10(3)4)12(15)14(16-5)18-11/h10H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyLMAWHNKMZZSRHN-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.29
Rot. Bonds7

About 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66301085) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66301085
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCN(CC)CCc1nc(NC)c(Br)c(C(C)C)n1
InChIInChI=1S/C14H25BrN4/c1-6-19(7-2)9-8-11-17-13(10(3)4)12(15)14(16-5)18-11/h10H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyLMAWHNKMZZSRHN-UHFFFAOYSA-N
XLogP3.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 66301085) is 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine is CCN(CC)CCc1nc(NC)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is LMAWHNKMZZSRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-6-19(7-2)9-8-11-17-13(10(3)4)12(15)14(16-5)18-11/h10H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 329.29 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(diethylamino)ethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66301085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).