6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione

C13H22N4O2 — CID 64743479

IUPAC6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCC1CCC(Nc2c(N)n(C)c(=O)[nH]c2=O)CC1C
InChIInChI=1S/C13H22N4O2/c1-7-4-5-9(6-8(7)2)15-10-11(14)17(3)13(19)16-12(10)18/h7-9,15H,4-6,14H2,1-3H3,(H,16,18,19)
InChIKeyGWGRKIPSMXJYII-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.89
Rot. Bonds2

About 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione (PubChem CID 64743479) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione
PubChem CID64743479
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCC1CCC(Nc2c(N)n(C)c(=O)[nH]c2=O)CC1C
InChIInChI=1S/C13H22N4O2/c1-7-4-5-9(6-8(7)2)15-10-11(14)17(3)13(19)16-12(10)18/h7-9,15H,4-6,14H2,1-3H3,(H,16,18,19)
InChIKeyGWGRKIPSMXJYII-UHFFFAOYSA-N
XLogP0.89
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione (CID 64743479) is 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione is CC1CCC(Nc2c(N)n(C)c(=O)[nH]c2=O)CC1C.
What is the InChIKey of 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is GWGRKIPSMXJYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-7-4-5-9(6-8(7)2)15-10-11(14)17(3)13(19)16-12(10)18/h7-9,15H,4-6,14H2,1-3H3,(H,16,18,19).
What are the key properties of 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3,4-dimethylcyclohexyl)amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 64743479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).