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

C12H20N4O — CID 137133023

IUPAC4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CCC2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N4O/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)
InChIKeyGWGVOSGJTDPMMZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds3

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

4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one (PubChem CID 137133023) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
PubChem CID137133023
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CCC2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N4O/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)
InChIKeyGWGVOSGJTDPMMZ-UHFFFAOYSA-N
XLogP0.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
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?
The IUPAC name of 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one (CID 137133023) is 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one is Cc1nc(N)c(CCC2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is GWGVOSGJTDPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/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).
What are the key properties of 4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one?
4-amino-2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.59, 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 is sourced from PubChem (CID 137133023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).