5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine

C10H13BrN4O — CID 80853659

IUPAC5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NC2CC3CCC2O3)n1
InChIInChI=1S/C10H13BrN4O/c11-6-4-13-10(12)15-9(6)14-7-3-5-1-2-8(7)16-5/h4-5,7-8H,1-3H2,(H3,12,13,14,15)
InChIKeyFFYNHGKYPFPWGN-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.55
Rot. Bonds2

About 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine

5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80853659) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine
PubChem CID80853659
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NC2CC3CCC2O3)n1
InChIInChI=1S/C10H13BrN4O/c11-6-4-13-10(12)15-9(6)14-7-3-5-1-2-8(7)16-5/h4-5,7-8H,1-3H2,(H3,12,13,14,15)
InChIKeyFFYNHGKYPFPWGN-UHFFFAOYSA-N
XLogP1.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridin-2-amine
CID 102762310
6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80926873
5-bromo-4-N-(1,1-dioxothian-4-yl)pyrimidine-2,4-diamine
CID 80789953
N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine
CID 80719667
4-N,6-N-bis[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrimidine-4,6-diamine
CID 129429968
6-ethoxy-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,5-diamine
CID 80714776
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one
CID 115694801
5-bromo-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 80784885
5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 103760464
3,6-dichloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-triazin-5-amine
CID 81038230
5-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]pyridine-2-carbonitrile
CID 124779116
5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
CID 80732025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine (CID 80853659) is 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine is Nc1ncc(Br)c(NC2CC3CCC2O3)n1.
What is the InChIKey of 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is FFYNHGKYPFPWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c11-6-4-13-10(12)15-9(6)14-7-3-5-1-2-8(7)16-5/h4-5,7-8H,1-3H2,(H3,12,13,14,15).
What are the key properties of 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine?
5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 285.14 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80853659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).