4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine

C13H15BrN4O — CID 112856761

IUPAC4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C13H15BrN4O/c1-19-7-6-15-12-8-13(17-9-16-12)18-11-4-2-10(14)3-5-11/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeyIMVFLGWZANZTSC-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.04
Rot. Bonds6

About 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine

4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine (PubChem CID 112856761) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
PubChem CID112856761
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C13H15BrN4O/c1-19-7-6-15-12-8-13(17-9-16-12)18-11-4-2-10(14)3-5-11/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeyIMVFLGWZANZTSC-UHFFFAOYSA-N
XLogP3.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.04
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-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869563
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
4-N-(3-chloro-4-fluorophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856757
4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856969
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434
4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856745
4-N-(4-bromophenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861329
4-N-[2,6-di(propan-2-yl)phenyl]-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856803
4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856738

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine (CID 112856761) is 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine is COCCNc1cc(Nc2ccc(Br)cc2)ncn1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
The InChIKey is IMVFLGWZANZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-19-7-6-15-12-8-13(17-9-16-12)18-11-4-2-10(14)3-5-11/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine?
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine has a molecular weight of 323.19 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112856761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).