5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine

C14H23BrN4 — CID 66303763

IUPAC5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine
SMILESCCN(CC)CCc1nc(NC)c(Br)c(C2CC2)n1
InChIInChI=1S/C14H23BrN4/c1-4-19(5-2)9-8-11-17-13(10-6-7-10)12(15)14(16-3)18-11/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyTWRPTMADZQUNQJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.04
Rot. Bonds7

About 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine (PubChem CID 66303763) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine
PubChem CID66303763
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine
SMILESCCN(CC)CCc1nc(NC)c(Br)c(C2CC2)n1
InChIInChI=1S/C14H23BrN4/c1-4-19(5-2)9-8-11-17-13(10-6-7-10)12(15)14(16-3)18-11/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyTWRPTMADZQUNQJ-UHFFFAOYSA-N
XLogP3.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine (CID 66303763) is 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine is CCN(CC)CCc1nc(NC)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine?
The InChIKey is TWRPTMADZQUNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-4-19(5-2)9-8-11-17-13(10-6-7-10)12(15)14(16-3)18-11/h10H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine has a molecular weight of 327.27 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66303763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).