5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine

C9H12BrN3O2 — CID 66340765

IUPAC5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCC1COCCO1
InChIInChI=1S/C9H12BrN3O2/c10-8-4-11-6-13-9(8)12-3-7-5-14-1-2-15-7/h4,6-7H,1-3,5H2,(H,11,12,13)
InChIKeyKKALVRXRHIKUPP-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.07
Rot. Bonds3

About 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine

5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66340765) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine
PubChem CID66340765
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCC1COCCO1
InChIInChI=1S/C9H12BrN3O2/c10-8-4-11-6-13-9(8)12-3-7-5-14-1-2-15-7/h4,6-7H,1-3,5H2,(H,11,12,13)
InChIKeyKKALVRXRHIKUPP-UHFFFAOYSA-N
XLogP1.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
CID 105366774
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 95126872
5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
CID 104923956
5-bromo-4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796894
3-bromo-2-N-(1,4-dioxan-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 104506484
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 93423961
N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 47283434
2-chloro-N-(1,4-dioxan-2-ylmethyl)-5-fluoropyrimidin-4-amine
CID 79080521
4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine
CID 64587294
N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271012
3,5-dichloro-N-(1,4-dioxan-2-ylmethyl)-6-hydrazinylpyridin-2-amine
CID 102761703

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine (CID 66340765) is 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine is Brc1cncnc1NCC1COCCO1.
What is the InChIKey of 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is KKALVRXRHIKUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-8-4-11-6-13-9(8)12-3-7-5-14-1-2-15-7/h4,6-7H,1-3,5H2,(H,11,12,13).
What are the key properties of 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine?
5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 274.12 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66340765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).