1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride

C7H13Cl2N3O — CID 91647547

IUPAC1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride
SMILESCl.Cl.NCCCn1cccnc1=O
InChIInChI=1S/C7H11N3O.2ClH/c8-3-1-5-10-6-2-4-9-7(10)11;;/h2,4,6H,1,3,5,8H2;2*1H
InChIKeyLJUKETJQSYPXFM-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride

1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride (PubChem CID 91647547) has the molecular formula C7H13Cl2N3O and a molecular weight of 226.11 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride
PubChem CID91647547
Molecular FormulaC7H13Cl2N3O
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride
SMILESCl.Cl.NCCCn1cccnc1=O
InChIInChI=1S/C7H11N3O.2ClH/c8-3-1-5-10-6-2-4-9-7(10)11;;/h2,4,6H,1,3,5,8H2;2*1H
InChIKeyLJUKETJQSYPXFM-UHFFFAOYSA-N
XLogP0.44
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride?
The IUPAC name of 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride (CID 91647547) is 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride?
The canonical SMILES for 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride is Cl.Cl.NCCCn1cccnc1=O.
What is the InChIKey of 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride?
The InChIKey is LJUKETJQSYPXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2ClH/c8-3-1-5-10-6-2-4-9-7(10)11;;/h2,4,6H,1,3,5,8H2;2*1H.
What are the key properties of 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride?
1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrimidin-2-one;dihydrochloride is sourced from PubChem (CID 91647547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).