2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate

C13H23N5O2 — CID 83215295

IUPAC2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate
SMILESCCCNc1nc(CC)nc(NCCOC(N)=O)c1C
InChIInChI=1S/C13H23N5O2/c1-4-6-15-11-9(3)12(18-10(5-2)17-11)16-7-8-20-13(14)19/h4-8H2,1-3H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyVACSMBNNTKUZNH-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.68
Rot. Bonds8

About 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate

2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate (PubChem CID 83215295) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate
PubChem CID83215295
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate
SMILESCCCNc1nc(CC)nc(NCCOC(N)=O)c1C
InChIInChI=1S/C13H23N5O2/c1-4-6-15-11-9(3)12(18-10(5-2)17-11)16-7-8-20-13(14)19/h4-8H2,1-3H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyVACSMBNNTKUZNH-UHFFFAOYSA-N
XLogP1.68
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate (CID 83215295) is 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate is CCCNc1nc(CC)nc(NCCOC(N)=O)c1C.
What is the InChIKey of 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate?
The InChIKey is VACSMBNNTKUZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-6-15-11-9(3)12(18-10(5-2)17-11)16-7-8-20-13(14)19/h4-8H2,1-3H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate?
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate has a molecular weight of 281.36 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate is sourced from PubChem (CID 83215295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).