4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride

C12H22Cl2N4O — CID 137187603

IUPAC4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride
SMILESCc1nc(N)c(CCC2CCNCC2)c(=O)[nH]1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-8-15-11(13)10(12(17)16-8)3-2-9-4-6-14-7-5-9;;/h9,14H,2-7H2,1H3,(H3,13,15,16,17);2*1H
InChIKeyVOXSCWISUDLZEV-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.44
Rot. Bonds3

About 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride

4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137187603) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride
PubChem CID137187603
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC Name4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride
SMILESCc1nc(N)c(CCC2CCNCC2)c(=O)[nH]1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-8-15-11(13)10(12(17)16-8)3-2-9-4-6-14-7-5-9;;/h9,14H,2-7H2,1H3,(H3,13,15,16,17);2*1H
InChIKeyVOXSCWISUDLZEV-UHFFFAOYSA-N
XLogP1.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride (CID 137187603) is 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride is Cc1nc(N)c(CCC2CCNCC2)c(=O)[nH]1.Cl.Cl.
What is the InChIKey of 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is VOXSCWISUDLZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-8-15-11(13)10(12(17)16-8)3-2-9-4-6-14-7-5-9;;/h9,14H,2-7H2,1H3,(H3,13,15,16,17);2*1H.
What are the key properties of 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride?
4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137187603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).