5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine

C9H12BrN3 — CID 58185540

IUPAC5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine
SMILESCCC1(Nc2ncc(Br)cn2)CC1
InChIInChI=1S/C9H12BrN3/c1-2-9(3-4-9)13-8-11-5-7(10)6-12-8/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyCNUZCNITNGKVJJ-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine

5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine (PubChem CID 58185540) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine
PubChem CID58185540
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine
SMILESCCC1(Nc2ncc(Br)cn2)CC1
InChIInChI=1S/C9H12BrN3/c1-2-9(3-4-9)13-8-11-5-7(10)6-12-8/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyCNUZCNITNGKVJJ-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine (CID 58185540) is 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine is CCC1(Nc2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine?
The InChIKey is CNUZCNITNGKVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-2-9(3-4-9)13-8-11-5-7(10)6-12-8/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine?
5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine has a molecular weight of 242.12 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylcyclopropyl)pyrimidin-2-amine is sourced from PubChem (CID 58185540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).