2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile

C10H15N5O2 — CID 142974316

IUPAC2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile
SMILESCCOCCn1c(N)nc(N)c(CC#N)c1=O
InChIInChI=1S/C10H15N5O2/c1-2-17-6-5-15-9(16)7(3-4-11)8(12)14-10(15)13/h2-3,5-6,12H2,1H3,(H2,13,14)
InChIKeyYZBNYUFGJQYJMH-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.49
Rot. Bonds5

About 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile

2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile (PubChem CID 142974316) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile
PubChem CID142974316
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile
SMILESCCOCCn1c(N)nc(N)c(CC#N)c1=O
InChIInChI=1S/C10H15N5O2/c1-2-17-6-5-15-9(16)7(3-4-11)8(12)14-10(15)13/h2-3,5-6,12H2,1H3,(H2,13,14)
InChIKeyYZBNYUFGJQYJMH-UHFFFAOYSA-N
XLogP-0.49
TPSA119.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile?
The IUPAC name of 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile (CID 142974316) is 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile.
What is the SMILES notation for 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile?
The canonical SMILES for 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile is CCOCCn1c(N)nc(N)c(CC#N)c1=O.
What is the InChIKey of 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile?
The InChIKey is YZBNYUFGJQYJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-17-6-5-15-9(16)7(3-4-11)8(12)14-10(15)13/h2-3,5-6,12H2,1H3,(H2,13,14).
What are the key properties of 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile?
2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile has a molecular weight of 237.26 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-diamino-1-(2-ethoxyethyl)-6-oxopyrimidin-5-yl]acetonitrile is sourced from PubChem (CID 142974316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).