4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine

C14H17BrN4O — CID 112886323

IUPAC4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCOCCCNc1nccc(Nc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4O/c1-20-10-4-8-16-14-17-9-7-13(19-14)18-12-6-3-2-5-11(12)15/h2-3,5-7,9H,4,8,10H2,1H3,(H2,16,17,18,19)
InChIKeyUAMPEAGDOMLOLL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.43
Rot. Bonds7

About 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine

4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine (PubChem CID 112886323) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
PubChem CID112886323
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCOCCCNc1nccc(Nc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4O/c1-20-10-4-8-16-14-17-9-7-13(19-14)18-12-6-3-2-5-11(12)15/h2-3,5-7,9H,4,8,10H2,1H3,(H2,16,17,18,19)
InChIKeyUAMPEAGDOMLOLL-UHFFFAOYSA-N
XLogP3.43
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.43
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

2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885809
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886080
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112883088
4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886293
4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
CID 154776272
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822
4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899390
4-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885642
2-bromo-N-(4-methoxybutyl)aniline
CID 115735649
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251998

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine (CID 112886323) is 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine is COCCCNc1nccc(Nc2ccccc2Br)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is UAMPEAGDOMLOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-20-10-4-8-16-14-17-9-7-13(19-14)18-12-6-3-2-5-11(12)15/h2-3,5-7,9H,4,8,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 337.22 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112886323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).