N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine

C10H18N4O — CID 63287337

IUPACN'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCOCCN(CCCN)c1ncccn1
InChIInChI=1S/C10H18N4O/c1-15-9-8-14(7-2-4-11)10-12-5-3-6-13-10/h3,5-6H,2,4,7-9,11H2,1H3
InChIKeyKTUBAXJPIZNNBM-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.28
Rot. Bonds7

About N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine

N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 63287337) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID63287337
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCOCCN(CCCN)c1ncccn1
InChIInChI=1S/C10H18N4O/c1-15-9-8-14(7-2-4-11)10-12-5-3-6-13-10/h3,5-6H,2,4,7-9,11H2,1H3
InChIKeyKTUBAXJPIZNNBM-UHFFFAOYSA-N
XLogP0.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine (CID 63287337) is N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine is COCCN(CCCN)c1ncccn1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is KTUBAXJPIZNNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-9-8-14(7-2-4-11)10-12-5-3-6-13-10/h3,5-6H,2,4,7-9,11H2,1H3.
What are the key properties of N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 63287337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).