6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione

C11H17N3O2 — CID 777243

IUPAC6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NC2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-14-10(15)7-9(13-11(14)16)12-8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3,(H,13,16)
InChIKeyCINNSQRGUJUIPN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.82
Rot. Bonds2

About 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione

6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 777243) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID777243
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NC2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-14-10(15)7-9(13-11(14)16)12-8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3,(H,13,16)
InChIKeyCINNSQRGUJUIPN-UHFFFAOYSA-N
XLogP0.82
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione (CID 777243) is 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(NC2CCCCC2)[nH]c1=O.
What is the InChIKey of 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is CINNSQRGUJUIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-10(15)7-9(13-11(14)16)12-8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3,(H,13,16).
What are the key properties of 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione?
6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 777243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).