2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride

C9H16Cl2N4O — CID 68782105

IUPAC2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.O=c1ccnc(NC2CCNCC2)[nH]1
InChIInChI=1S/C9H14N4O.2ClH/c14-8-3-6-11-9(13-8)12-7-1-4-10-5-2-7;;/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14);2*1H
InChIKeyGMEHQMHGYQXBFY-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.78
Rot. Bonds2

About 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride

2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 68782105) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride
PubChem CID68782105
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC Name2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.O=c1ccnc(NC2CCNCC2)[nH]1
InChIInChI=1S/C9H14N4O.2ClH/c14-8-3-6-11-9(13-8)12-7-1-4-10-5-2-7;;/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14);2*1H
InChIKeyGMEHQMHGYQXBFY-UHFFFAOYSA-N
XLogP0.78
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride (CID 68782105) is 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.O=c1ccnc(NC2CCNCC2)[nH]1.
What is the InChIKey of 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is GMEHQMHGYQXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.2ClH/c14-8-3-6-11-9(13-8)12-7-1-4-10-5-2-7;;/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14);2*1H.
What are the key properties of 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride?
2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 68782105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).