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

C13H15BrN4O — CID 112885809

IUPAC2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ccnc(Nc2ccccc2Br)n1
InChIInChI=1S/C13H15BrN4O/c1-19-9-8-15-12-6-7-16-13(18-12)17-11-5-3-2-4-10(11)14/h2-7H,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyUXOMOHXQKFGMGV-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.04
Rot. Bonds6

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

2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 112885809) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID112885809
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ccnc(Nc2ccccc2Br)n1
InChIInChI=1S/C13H15BrN4O/c1-19-9-8-15-12-6-7-16-13(18-12)17-11-5-3-2-4-10(11)14/h2-7H,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyUXOMOHXQKFGMGV-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

4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886323
4-N-(2-methoxyethyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112885753
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
CID 112889532
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886080
4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112885806
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822
2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891979
2-N-(3-chloro-2-methylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886096
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882662

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 112885809) is 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCNc1ccnc(Nc2ccccc2Br)n1.
What is the InChIKey of 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is UXOMOHXQKFGMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-19-9-8-15-12-6-7-16-13(18-12)17-11-5-3-2-4-10(11)14/h2-7H,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-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 2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112885809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).