2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride

C9H17Cl2N5O — CID 71772931

IUPAC2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.NC1=NC(=O)CC(N2CCC(N)CC2)=N1
InChIInChI=1S/C9H15N5O.2ClH/c10-6-1-3-14(4-2-6)7-5-8(15)13-9(11)12-7;;/h6H,1-5,10H2,(H2,11,13,15);2*1H
InChIKeyODGWNBNAPUPMSI-UHFFFAOYSA-N
MW282.18 g/mol
LogP-0.10
Rot. Bonds

About 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride

2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride (PubChem CID 71772931) has the molecular formula C9H17Cl2N5O and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride
PubChem CID71772931
Molecular FormulaC9H17Cl2N5O
Molecular Weight282.18 g/mol
Exact Mass281.08
IUPAC Name2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.NC1=NC(=O)CC(N2CCC(N)CC2)=N1
InChIInChI=1S/C9H15N5O.2ClH/c10-6-1-3-14(4-2-6)7-5-8(15)13-9(11)12-7;;/h6H,1-5,10H2,(H2,11,13,15);2*1H
InChIKeyODGWNBNAPUPMSI-UHFFFAOYSA-N
XLogP-0.10
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride?
The IUPAC name of 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride (CID 71772931) is 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride is Cl.Cl.NC1=NC(=O)CC(N2CCC(N)CC2)=N1.
What is the InChIKey of 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride?
The InChIKey is ODGWNBNAPUPMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O.2ClH/c10-6-1-3-14(4-2-6)7-5-8(15)13-9(11)12-7;;/h6H,1-5,10H2,(H2,11,13,15);2*1H.
What are the key properties of 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride?
2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride has a molecular weight of 282.18 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 71772931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).