5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine

C12H14BrN5O — CID 142576033

IUPAC5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(Br)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H14BrN5O/c1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeyKVMKNPHEMHTMED-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.71
Rot. Bonds3

About 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 142576033) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID142576033
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(Br)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H14BrN5O/c1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeyKVMKNPHEMHTMED-UHFFFAOYSA-N
XLogP2.71
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 142576033) is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is CC(C)c1cnc(Br)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is KVMKNPHEMHTMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H4,14,15,17,18).
What are the key properties of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 324.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 142576033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).