N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine

C13H24N4O — CID 112635405

IUPACN-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1cc(C)nc(N(C)CCNCC)n1
InChIInChI=1S/C13H24N4O/c1-5-9-18-12-10-11(3)15-13(16-12)17(4)8-7-14-6-2/h10,14H,5-9H2,1-4H3
InChIKeyCQGKDSXUXYEYJD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.62
Rot. Bonds8

About N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine

N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 112635405) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID112635405
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1cc(C)nc(N(C)CCNCC)n1
InChIInChI=1S/C13H24N4O/c1-5-9-18-12-10-11(3)15-13(16-12)17(4)8-7-14-6-2/h10,14H,5-9H2,1-4H3
InChIKeyCQGKDSXUXYEYJD-UHFFFAOYSA-N
XLogP1.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine (CID 112635405) is N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine is CCCOc1cc(C)nc(N(C)CCNCC)n1.
What is the InChIKey of N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is CQGKDSXUXYEYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-9-18-12-10-11(3)15-13(16-12)17(4)8-7-14-6-2/h10,14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112635405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).