(2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate

C11H19N5O3 — CID 122601847

IUPAC(2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate
SMILESCCCOc1nc(N)nc(OC(=O)N(C)CC)c1N
InChIInChI=1S/C11H19N5O3/c1-4-6-18-8-7(12)9(15-10(13)14-8)19-11(17)16(3)5-2/h4-6,12H2,1-3H3,(H2,13,14,15)
InChIKeyGFJPSAUIYMYAOO-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.88
Rot. Bonds5

About (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate

(2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate (PubChem CID 122601847) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate
PubChem CID122601847
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name(2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate
SMILESCCCOc1nc(N)nc(OC(=O)N(C)CC)c1N
InChIInChI=1S/C11H19N5O3/c1-4-6-18-8-7(12)9(15-10(13)14-8)19-11(17)16(3)5-2/h4-6,12H2,1-3H3,(H2,13,14,15)
InChIKeyGFJPSAUIYMYAOO-UHFFFAOYSA-N
XLogP0.88
TPSA116.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.88
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-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate?
The IUPAC name of (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate (CID 122601847) is (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate is CCCOc1nc(N)nc(OC(=O)N(C)CC)c1N.
What is the InChIKey of (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate?
The InChIKey is GFJPSAUIYMYAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-6-18-8-7(12)9(15-10(13)14-8)19-11(17)16(3)5-2/h4-6,12H2,1-3H3,(H2,13,14,15).
What are the key properties of (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate?
(2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate has a molecular weight of 269.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diamino-6-propoxypyrimidin-4-yl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 122601847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).