N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine

C11H19N5O — CID 67087546

IUPACN-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESCOCCNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C11H19N5O/c1-17-9-6-14-11-13-3-2-10(15-11)16-7-4-12-5-8-16/h2-3,12H,4-9H2,1H3,(H,13,14,15)
InChIKeyMSEBFYWDQKIOEM-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.06
Rot. Bonds5

About N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine

N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 67087546) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID67087546
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESCOCCNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C11H19N5O/c1-17-9-6-14-11-13-3-2-10(15-11)16-7-4-12-5-8-16/h2-3,12H,4-9H2,1H3,(H,13,14,15)
InChIKeyMSEBFYWDQKIOEM-UHFFFAOYSA-N
XLogP-0.06
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
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 N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine (CID 67087546) is N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine is COCCNc1nccc(N2CCNCC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is MSEBFYWDQKIOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-17-9-6-14-11-13-3-2-10(15-11)16-7-4-12-5-8-16/h2-3,12H,4-9H2,1H3,(H,13,14,15).
What are the key properties of N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine?
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 237.31 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 67087546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).