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

C15H18BrN5O — CID 147737213

IUPAC5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine
SMILESCC(C)c1cnc(Br)cc1Oc1cnc(N)nc1NC1CC1
InChIInChI=1S/C15H18BrN5O/c1-8(2)10-6-18-13(16)5-11(10)22-12-7-19-15(17)21-14(12)20-9-3-4-9/h5-9H,3-4H2,1-2H3,(H3,17,19,20,21)
InChIKeyGZPLJULLZGHQLS-UHFFFAOYSA-N
MW364.25 g/mol
LogP3.71
Rot. Bonds5

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

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine (PubChem CID 147737213) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine
PubChem CID147737213
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine
SMILESCC(C)c1cnc(Br)cc1Oc1cnc(N)nc1NC1CC1
InChIInChI=1S/C15H18BrN5O/c1-8(2)10-6-18-13(16)5-11(10)22-12-7-19-15(17)21-14(12)20-9-3-4-9/h5-9H,3-4H2,1-2H3,(H3,17,19,20,21)
InChIKeyGZPLJULLZGHQLS-UHFFFAOYSA-N
XLogP3.71
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine (CID 147737213) is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine is CC(C)c1cnc(Br)cc1Oc1cnc(N)nc1NC1CC1.
What is the InChIKey of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine?
The InChIKey is GZPLJULLZGHQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-8(2)10-6-18-13(16)5-11(10)22-12-7-19-15(17)21-14(12)20-9-3-4-9/h5-9H,3-4H2,1-2H3,(H3,17,19,20,21).
What are the key properties of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine?
5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-cyclopropylpyrimidine-2,4-diamine has a molecular weight of 364.25 g/mol, XLogP of 3.71, 5 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]-4-N-cyclopropylpyrimidine-2,4-diamine is sourced from PubChem (CID 147737213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).