N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine

C15H28N4O — CID 115973532

IUPACN'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine
SMILESCCCOc1cc(C)nc(N(CC)CC(C)(C)CN)n1
InChIInChI=1S/C15H28N4O/c1-6-8-20-13-9-12(3)17-14(18-13)19(7-2)11-15(4,5)10-16/h9H,6-8,10-11,16H2,1-5H3
InChIKeyVKUAPFAAZUUZCF-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.39
Rot. Bonds8

About N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine (PubChem CID 115973532) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine
PubChem CID115973532
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine
SMILESCCCOc1cc(C)nc(N(CC)CC(C)(C)CN)n1
InChIInChI=1S/C15H28N4O/c1-6-8-20-13-9-12(3)17-14(18-13)19(7-2)11-15(4,5)10-16/h9H,6-8,10-11,16H2,1-5H3
InChIKeyVKUAPFAAZUUZCF-UHFFFAOYSA-N
XLogP2.39
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine (CID 115973532) is N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine is CCCOc1cc(C)nc(N(CC)CC(C)(C)CN)n1.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is VKUAPFAAZUUZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-8-20-13-9-12(3)17-14(18-13)19(7-2)11-15(4,5)10-16/h9H,6-8,10-11,16H2,1-5H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115973532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).