2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine

C9H16N4O — CID 83831209

IUPAC2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
SMILESCOc1cc(N(C)C(C)CN)ncn1
InChIInChI=1S/C9H16N4O/c1-7(5-10)13(2)8-4-9(14-3)12-6-11-8/h4,6-7H,5,10H2,1-3H3
InChIKeyCKBIAIYCEOPNEE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.27
Rot. Bonds4

About 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine

2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 83831209) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
PubChem CID83831209
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
SMILESCOc1cc(N(C)C(C)CN)ncn1
InChIInChI=1S/C9H16N4O/c1-7(5-10)13(2)8-4-9(14-3)12-6-11-8/h4,6-7H,5,10H2,1-3H3
InChIKeyCKBIAIYCEOPNEE-UHFFFAOYSA-N
XLogP0.27
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine (CID 83831209) is 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine is COc1cc(N(C)C(C)CN)ncn1.
What is the InChIKey of 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is CKBIAIYCEOPNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(5-10)13(2)8-4-9(14-3)12-6-11-8/h4,6-7H,5,10H2,1-3H3.
What are the key properties of 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-methoxypyrimidin-4-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 83831209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).