2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine

C15H27N5O — CID 82458475

IUPAC2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCCC2)nc(NCCN(C)C)c1N
InChIInChI=1S/C15H27N5O/c1-20(2)10-9-17-14-12(16)15(21-3)19-13(18-14)11-7-5-4-6-8-11/h11H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeyDYUDRSCGLUZOGG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.09
Rot. Bonds6

About 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine

2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine (PubChem CID 82458475) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine
PubChem CID82458475
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCCC2)nc(NCCN(C)C)c1N
InChIInChI=1S/C15H27N5O/c1-20(2)10-9-17-14-12(16)15(21-3)19-13(18-14)11-7-5-4-6-8-11/h11H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeyDYUDRSCGLUZOGG-UHFFFAOYSA-N
XLogP2.09
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine (CID 82458475) is 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine is COc1nc(C2CCCCC2)nc(NCCN(C)C)c1N.
What is the InChIKey of 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine?
The InChIKey is DYUDRSCGLUZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-20(2)10-9-17-14-12(16)15(21-3)19-13(18-14)11-7-5-4-6-8-11/h11H,4-10,16H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine?
2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine has a molecular weight of 293.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82458475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).