6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione

C7H10BrN3O2 — CID 83866855

IUPAC6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
SMILESNCCCc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O2/c8-5-4(2-1-3-9)10-7(13)11-6(5)12/h1-3,9H2,(H2,10,11,12,13)
InChIKeyOBGUUZDAVKFKCA-UHFFFAOYSA-N
MW248.08 g/mol
LogP-0.28
Rot. Bonds3

About 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione

6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione (PubChem CID 83866855) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
PubChem CID83866855
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
SMILESNCCCc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O2/c8-5-4(2-1-3-9)10-7(13)11-6(5)12/h1-3,9H2,(H2,10,11,12,13)
InChIKeyOBGUUZDAVKFKCA-UHFFFAOYSA-N
XLogP-0.28
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-propylpyrimidine-2,4(1H,3H)-dione
CID 13384066
5-bromo-6-ethyl-2,4(1H,3H)pyrimidinedione
CID 13384065
5-bromo-6-pentyl-1H-pyrimidine-2,4-dione
CID 235881
6-(3-aminopropyl)-1H-pyrimidine-2,4-dione
CID 54443089
5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione
CID 82390201
6-[(1S)-1-aminoethyl]-5-bromo-1H-pyrimidine-2,4-dione
CID 83866852
6-[(1S)-1-amino-2-methylpropyl]-5-bromo-1H-pyrimidine-2,4-dione
CID 83866853
5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
CID 83866861
2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetonitrile
CID 83866863
6-(2-amino-2-methylpropyl)-5-bromo-1H-pyrimidine-2,4-dione
CID 83866870
6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
CID 83866871
6-(1-aminopropan-2-yl)-5-bromo-1H-pyrimidine-2,4-dione
CID 83866872

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione (CID 83866855) is 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione is NCCCc1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione?
The InChIKey is OBGUUZDAVKFKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c8-5-4(2-1-3-9)10-7(13)11-6(5)12/h1-3,9H2,(H2,10,11,12,13).
What are the key properties of 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione?
6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione has a molecular weight of 248.08 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83866855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).