6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride

C5H8ClN3O2 — CID 71743613

IUPAC6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.NCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H7N3O2.ClH/c6-2-3-1-4(9)8-5(10)7-3;/h1H,2,6H2,(H2,7,8,9,10);1H
InChIKeyYMQMXRAJFVEKHJ-UHFFFAOYSA-N
MW177.59 g/mol
LogP-1.06
Rot. Bonds1

About 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride

6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 71743613) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID71743613
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.NCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H7N3O2.ClH/c6-2-3-1-4(9)8-5(10)7-3;/h1H,2,6H2,(H2,7,8,9,10);1H
InChIKeyYMQMXRAJFVEKHJ-UHFFFAOYSA-N
XLogP-1.06
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12283
CID 12283
CID 12328989
CID 12328989
CID 21793939
CID 21793939
CID 312953
CID 312953
CID 117273270
CID 117273270
CID 21793940
CID 21793940
CID 53710750
CID 53710750
CID 25210540
CID 25210540
CID 60966285
CID 60966285
CID 129783887
CID 129783887
CID 1822049
CID 1822049
CID 24196561
CID 24196561

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride (CID 71743613) is 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride is Cl.NCc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is YMQMXRAJFVEKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c6-2-3-1-4(9)8-5(10)7-3;/h1H,2,6H2,(H2,7,8,9,10);1H.
What are the key properties of 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 71743613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).