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

C15H27N5 — CID 112910508

IUPAC2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCN(C)C)nc(NC2CCCCC2)n1
InChIInChI=1S/C15H27N5/c1-12-11-14(16-9-10-20(2)3)19-15(17-12)18-13-7-5-4-6-8-13/h11,13H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyMMOXJTHENHXEFL-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.50
Rot. Bonds6

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

2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112910508) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112910508
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCN(C)C)nc(NC2CCCCC2)n1
InChIInChI=1S/C15H27N5/c1-12-11-14(16-9-10-20(2)3)19-15(17-12)18-13-7-5-4-6-8-13/h11,13H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyMMOXJTHENHXEFL-UHFFFAOYSA-N
XLogP2.50
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112910508) is 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCCN(C)C)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is MMOXJTHENHXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12-11-14(16-9-10-20(2)3)19-15(17-12)18-13-7-5-4-6-8-13/h11,13H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).