5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine

C10H15BrClN3O3 — CID 58891159

IUPAC5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(Nc1nc(Cl)ncc1Br)C(OC)OC
InChIInChI=1S/C10H15BrClN3O3/c1-16-5-7(9(17-2)18-3)14-8-6(11)4-13-10(12)15-8/h4,7,9H,5H2,1-3H3,(H,13,14,15)
InChIKeyCJXZGHZWJVWRHM-UHFFFAOYSA-N
MW340.61 g/mol
LogP1.94
Rot. Bonds7

About 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine

5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine (PubChem CID 58891159) has the molecular formula C10H15BrClN3O3 and a molecular weight of 340.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine
PubChem CID58891159
Molecular FormulaC10H15BrClN3O3
Molecular Weight340.61 g/mol
Exact Mass339.00
IUPAC Name5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(Nc1nc(Cl)ncc1Br)C(OC)OC
InChIInChI=1S/C10H15BrClN3O3/c1-16-5-7(9(17-2)18-3)14-8-6(11)4-13-10(12)15-8/h4,7,9H,5H2,1-3H3,(H,13,14,15)
InChIKeyCJXZGHZWJVWRHM-UHFFFAOYSA-N
XLogP1.94
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine (CID 58891159) is 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine is COCC(Nc1nc(Cl)ncc1Br)C(OC)OC.
What is the InChIKey of 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine?
The InChIKey is CJXZGHZWJVWRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O3/c1-16-5-7(9(17-2)18-3)14-8-6(11)4-13-10(12)15-8/h4,7,9H,5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine has a molecular weight of 340.61 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1,1,3-trimethoxypropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 58891159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).