3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine

C10H11BrN4O — CID 106369705

IUPAC3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1cnc(CNc2ncc(N)cc2Br)o1
InChIInChI=1S/C10H11BrN4O/c1-6-3-13-9(16-6)5-15-10-8(11)2-7(12)4-14-10/h2-4H,5,12H2,1H3,(H,14,15)
InChIKeyPKTMDIWOZVHTAY-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.33
Rot. Bonds3

About 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine

3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 106369705) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
PubChem CID106369705
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1cnc(CNc2ncc(N)cc2Br)o1
InChIInChI=1S/C10H11BrN4O/c1-6-3-13-9(16-6)5-15-10-8(11)2-7(12)4-14-10/h2-4H,5,12H2,1H3,(H,14,15)
InChIKeyPKTMDIWOZVHTAY-UHFFFAOYSA-N
XLogP2.33
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 71912537
5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 99837175
2-[Methyl-[6-[(2-methyl-1,3-oxazol-5-yl)methylamino]-3-pyridinyl]amino]ethanol
CID 132322019
3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 99837170
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103269535
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103269598
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103436406
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 103946679
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine
CID 105651126
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 105651223
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 105651232
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine
CID 106373328

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine (CID 106369705) is 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine is Cc1cnc(CNc2ncc(N)cc2Br)o1.
What is the InChIKey of 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is PKTMDIWOZVHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-6-3-13-9(16-6)5-15-10-8(11)2-7(12)4-14-10/h2-4H,5,12H2,1H3,(H,14,15).
What are the key properties of 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine?
3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine has a molecular weight of 283.13 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 106369705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).