methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate

C10H16N4O2 — CID 114561911

IUPACmethyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)c1cc(N)ncn1
InChIInChI=1S/C10H16N4O2/c1-7(10(15)16-3)5-14(2)9-4-8(11)12-6-13-9/h4,6-7H,5H2,1-3H3,(H2,11,12,13)
InChIKeyZPJVGWZWMVURHP-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.30
Rot. Bonds4

About methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate

methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate (PubChem CID 114561911) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate
PubChem CID114561911
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)c1cc(N)ncn1
InChIInChI=1S/C10H16N4O2/c1-7(10(15)16-3)5-14(2)9-4-8(11)12-6-13-9/h4,6-7H,5H2,1-3H3,(H2,11,12,13)
InChIKeyZPJVGWZWMVURHP-UHFFFAOYSA-N
XLogP0.30
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate (CID 114561911) is methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)c1cc(N)ncn1.
What is the InChIKey of methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate?
The InChIKey is ZPJVGWZWMVURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(10(15)16-3)5-14(2)9-4-8(11)12-6-13-9/h4,6-7H,5H2,1-3H3,(H2,11,12,13).
What are the key properties of methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate?
methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate has a molecular weight of 224.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-aminopyrimidin-4-yl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 114561911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).