3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine

C15H26N4 — CID 133461679

IUPAC3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCCc1cc(NC2CCCC(N(C)C)C2)nc(C)n1
InChIInChI=1S/C15H26N4/c1-5-12-10-15(17-11(2)16-12)18-13-7-6-8-14(9-13)19(3)4/h10,13-14H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyFBZDKDYZMLMVMM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.63
Rot. Bonds4

About 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine

3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine (PubChem CID 133461679) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
PubChem CID133461679
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCCc1cc(NC2CCCC(N(C)C)C2)nc(C)n1
InChIInChI=1S/C15H26N4/c1-5-12-10-15(17-11(2)16-12)18-13-7-6-8-14(9-13)19(3)4/h10,13-14H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyFBZDKDYZMLMVMM-UHFFFAOYSA-N
XLogP2.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The IUPAC name of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine (CID 133461679) is 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine.
What is the SMILES notation for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The canonical SMILES for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine is CCc1cc(NC2CCCC(N(C)C)C2)nc(C)n1.
What is the InChIKey of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The InChIKey is FBZDKDYZMLMVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-12-10-15(17-11(2)16-12)18-13-7-6-8-14(9-13)19(3)4/h10,13-14H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 133461679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).