5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride

C8H12ClN3O2 — CID 119099221

IUPAC5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride
SMILESCl.NCc1cn(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O2.ClH/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12;/h4,6H,1-3,9H2,(H,10,12,13);1H
InChIKeyWIPADYPCJZNLIV-UHFFFAOYSA-N
MW217.66 g/mol
LogP-0.25
Rot. Bonds2

About 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride

5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride (PubChem CID 119099221) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride
PubChem CID119099221
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride
SMILESCl.NCc1cn(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O2.ClH/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12;/h4,6H,1-3,9H2,(H,10,12,13);1H
InChIKeyWIPADYPCJZNLIV-UHFFFAOYSA-N
XLogP-0.25
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride (CID 119099221) is 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride is Cl.NCc1cn(C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is WIPADYPCJZNLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12;/h4,6H,1-3,9H2,(H,10,12,13);1H.
What are the key properties of 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride?
5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclopropylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119099221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).