5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione

C12H19N3O2 — CID 3041128

IUPAC5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(CN)cn(C2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-11(16)9(7-13)8-15(12(14)17)10-5-3-2-4-6-10/h8,10H,2-7,13H2,1H3
InChIKeyLYPLDEJFXKSORT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.51
Rot. Bonds2

About 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione

5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione (PubChem CID 3041128) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
PubChem CID3041128
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(CN)cn(C2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-11(16)9(7-13)8-15(12(14)17)10-5-3-2-4-6-10/h8,10H,2-7,13H2,1H3
InChIKeyLYPLDEJFXKSORT-UHFFFAOYSA-N
XLogP0.51
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione (CID 3041128) is 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione is Cn1c(=O)c(CN)cn(C2CCCCC2)c1=O.
What is the InChIKey of 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione?
The InChIKey is LYPLDEJFXKSORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-11(16)9(7-13)8-15(12(14)17)10-5-3-2-4-6-10/h8,10H,2-7,13H2,1H3.
What are the key properties of 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione?
5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3041128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).