6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine

C12H21ClN4O2 — CID 82961160

IUPAC6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine
SMILESCCOCCN(CCOCC)c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H21ClN4O2/c1-3-18-7-5-17(6-8-19-4-2)11-9-10(13)15-12(14)16-11/h9H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyHNSNTVRZVALRRL-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.59
Rot. Bonds9

About 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine

6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine (PubChem CID 82961160) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine
PubChem CID82961160
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine
SMILESCCOCCN(CCOCC)c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H21ClN4O2/c1-3-18-7-5-17(6-8-19-4-2)11-9-10(13)15-12(14)16-11/h9H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyHNSNTVRZVALRRL-UHFFFAOYSA-N
XLogP1.59
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine (CID 82961160) is 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine is CCOCCN(CCOCC)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is HNSNTVRZVALRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-3-18-7-5-17(6-8-19-4-2)11-9-10(13)15-12(14)16-11/h9H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine?
6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 288.78 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 82961160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).