1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride

C15H26ClN3O2 — CID 3041135

IUPAC1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCc1c(CN(C)C)c(=O)n(C)c(=O)n1C1CCCCC1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-11-13(10-16(2)3)14(19)17(4)15(20)18(11)12-8-6-5-7-9-12;/h12H,5-10H2,1-4H3;1H
InChIKeyMJDJXZDBELZRAU-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.84
Rot. Bonds3

About 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride

1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride (PubChem CID 3041135) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride
PubChem CID3041135
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCc1c(CN(C)C)c(=O)n(C)c(=O)n1C1CCCCC1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-11-13(10-16(2)3)14(19)17(4)15(20)18(11)12-8-6-5-7-9-12;/h12H,5-10H2,1-4H3;1H
InChIKeyMJDJXZDBELZRAU-UHFFFAOYSA-N
XLogP1.84
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride (CID 3041135) is 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride is Cc1c(CN(C)C)c(=O)n(C)c(=O)n1C1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is MJDJXZDBELZRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-11-13(10-16(2)3)14(19)17(4)15(20)18(11)12-8-6-5-7-9-12;/h12H,5-10H2,1-4H3;1H.
What are the key properties of 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride?
1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3041135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).