6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine

C9H10BrN5O — CID 106405420

IUPAC6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCc2ncon2)n1
InChIInChI=1S/C9H10BrN5O/c1-2-7-13-6(10)3-8(14-7)11-4-9-12-5-16-15-9/h3,5H,2,4H2,1H3,(H,11,13,14)
InChIKeyOFQVGGJTCTYHSF-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.80
Rot. Bonds4

About 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine

6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106405420) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
PubChem CID106405420
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCc2ncon2)n1
InChIInChI=1S/C9H10BrN5O/c1-2-7-13-6(10)3-8(14-7)11-4-9-12-5-16-15-9/h3,5H,2,4H2,1H3,(H,11,13,14)
InChIKeyOFQVGGJTCTYHSF-UHFFFAOYSA-N
XLogP1.80
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403332
6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403520
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776
6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907356
6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192890
6-bromo-2-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 114186756
6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 114701517
6-methoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403349
6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403626
6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173601
6-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 114184724

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine (CID 106405420) is 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine is CCc1nc(Br)cc(NCc2ncon2)n1.
What is the InChIKey of 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is OFQVGGJTCTYHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-2-7-13-6(10)3-8(14-7)11-4-9-12-5-16-15-9/h3,5H,2,4H2,1H3,(H,11,13,14).
What are the key properties of 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 284.12 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106405420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).