[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate

C11H19N5O3 — CID 118188213

IUPAC[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCC(C)COc1nc(N)nc(OC(=O)N(C)C)c1N
InChIInChI=1S/C11H19N5O3/c1-6(2)5-18-8-7(12)9(15-10(13)14-8)19-11(17)16(3)4/h6H,5,12H2,1-4H3,(H2,13,14,15)
InChIKeyUDWDAIHQSMSOOB-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.74
Rot. Bonds4

About [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate

[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate (PubChem CID 118188213) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate
PubChem CID118188213
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCC(C)COc1nc(N)nc(OC(=O)N(C)C)c1N
InChIInChI=1S/C11H19N5O3/c1-6(2)5-18-8-7(12)9(15-10(13)14-8)19-11(17)16(3)4/h6H,5,12H2,1-4H3,(H2,13,14,15)
InChIKeyUDWDAIHQSMSOOB-UHFFFAOYSA-N
XLogP0.74
TPSA116.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate (CID 118188213) is [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate is CC(C)COc1nc(N)nc(OC(=O)N(C)C)c1N.
What is the InChIKey of [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is UDWDAIHQSMSOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-6(2)5-18-8-7(12)9(15-10(13)14-8)19-11(17)16(3)4/h6H,5,12H2,1-4H3,(H2,13,14,15).
What are the key properties of [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate?
[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 269.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 118188213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).