6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine

C13H15ClN4O — CID 155896810

IUPAC6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCCOCc2ccccc2)n1
InChIInChI=1S/C13H15ClN4O/c14-11-8-12(18-13(15)17-11)16-6-7-19-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H3,15,16,17,18)
InChIKeyQXBAEKORKUVTFX-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.34
Rot. Bonds6

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

6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine (PubChem CID 155896810) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
PubChem CID155896810
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCCOCc2ccccc2)n1
InChIInChI=1S/C13H15ClN4O/c14-11-8-12(18-13(15)17-11)16-6-7-19-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H3,15,16,17,18)
InChIKeyQXBAEKORKUVTFX-UHFFFAOYSA-N
XLogP2.34
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
6-chloro-4-N-[2-(2-methylphenoxy)ethyl]pyrimidine-2,4-diamine
CID 47298970
6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine
CID 133354069
4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine
CID 88594326
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 31537803
N-[2-[(4-chlorophenyl)methoxy]ethyl]pyridin-2-amine
CID 133390134
6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine
CID 115914756
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133390142
1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine
CID 130536838
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine (CID 155896810) is 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCCOCc2ccccc2)n1.
What is the InChIKey of 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is QXBAEKORKUVTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-11-8-12(18-13(15)17-11)16-6-7-19-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H3,15,16,17,18).
What are the key properties of 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 278.74 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155896810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).