5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine

C12H16BrN5O — CID 106390355

IUPAC5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC(C)c2ncc(C)o2)n1
InChIInChI=1S/C12H16BrN5O/c1-4-14-12-16-6-9(13)10(18-12)17-8(3)11-15-5-7(2)19-11/h5-6,8H,4H2,1-3H3,(H2,14,16,17,18)
InChIKeyNUJYBFVGGHVSFB-UHFFFAOYSA-N
MW326.20 g/mol
LogP3.14
Rot. Bonds5

About 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 106390355) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID106390355
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC(C)c2ncc(C)o2)n1
InChIInChI=1S/C12H16BrN5O/c1-4-14-12-16-6-9(13)10(18-12)17-8(3)11-15-5-7(2)19-11/h5-6,8H,4H2,1-3H3,(H2,14,16,17,18)
InChIKeyNUJYBFVGGHVSFB-UHFFFAOYSA-N
XLogP3.14
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80781022
5-chloro-2-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390455
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
5-bromo-2-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802050
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711
5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 104844331
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
5-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 106390334
3,5-dichloro-6-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106390393
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 106390355) is 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NC(C)c2ncc(C)o2)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is NUJYBFVGGHVSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-4-14-12-16-6-9(13)10(18-12)17-8(3)11-15-5-7(2)19-11/h5-6,8H,4H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 326.20 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106390355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).