1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride

C8H15ClN2O2 — CID 70342986

IUPAC1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride
SMILESCCCN1C=NCC(C(=O)O)C1.Cl
InChIInChI=1S/C8H14N2O2.ClH/c1-2-3-10-5-7(8(11)12)4-9-6-10;/h6-7H,2-5H2,1H3,(H,11,12);1H
InChIKeyCSDBLHOZJOBTHS-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.86
Rot. Bonds3

About 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride

1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride (PubChem CID 70342986) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride
PubChem CID70342986
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride
SMILESCCCN1C=NCC(C(=O)O)C1.Cl
InChIInChI=1S/C8H14N2O2.ClH/c1-2-3-10-5-7(8(11)12)4-9-6-10;/h6-7H,2-5H2,1H3,(H,11,12);1H
InChIKeyCSDBLHOZJOBTHS-UHFFFAOYSA-N
XLogP0.86
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride?
The IUPAC name of 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride (CID 70342986) is 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride is CCCN1C=NCC(C(=O)O)C1.Cl.
What is the InChIKey of 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride?
The InChIKey is CSDBLHOZJOBTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.ClH/c1-2-3-10-5-7(8(11)12)4-9-6-10;/h6-7H,2-5H2,1H3,(H,11,12);1H.
What are the key properties of 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride?
1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride has a molecular weight of 206.67 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 70342986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).