6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione

C14H24N4O2 — CID 118558977

IUPAC6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione
SMILESCC1CCC(C(C)Nc2c(N)n(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H24N4O2/c1-8-4-6-10(7-5-8)9(2)16-11-12(15)18(3)14(20)17-13(11)19/h8-10,16H,4-7,15H2,1-3H3,(H,17,19,20)
InChIKeyXSFLEDJEDIUKKH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.28
Rot. Bonds3

About 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione

6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione (PubChem CID 118558977) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione
PubChem CID118558977
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione
SMILESCC1CCC(C(C)Nc2c(N)n(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H24N4O2/c1-8-4-6-10(7-5-8)9(2)16-11-12(15)18(3)14(20)17-13(11)19/h8-10,16H,4-7,15H2,1-3H3,(H,17,19,20)
InChIKeyXSFLEDJEDIUKKH-UHFFFAOYSA-N
XLogP1.28
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione (CID 118558977) is 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione is CC1CCC(C(C)Nc2c(N)n(C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is XSFLEDJEDIUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-8-4-6-10(7-5-8)9(2)16-11-12(15)18(3)14(20)17-13(11)19/h8-10,16H,4-7,15H2,1-3H3,(H,17,19,20).
What are the key properties of 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[1-(4-methylcyclohexyl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 118558977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).