4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine

C14H17BrN4O — CID 82861835

IUPAC4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2ccc(Br)c(OC)c2)n1
InChIInChI=1S/C14H17BrN4O/c1-3-4-13-18-12(16)8-14(19-13)17-9-5-6-10(15)11(7-9)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyZKZBKCZWZMDJEH-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.53
Rot. Bonds5

About 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine

4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 82861835) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
PubChem CID82861835
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2ccc(Br)c(OC)c2)n1
InChIInChI=1S/C14H17BrN4O/c1-3-4-13-18-12(16)8-14(19-13)17-9-5-6-10(15)11(7-9)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyZKZBKCZWZMDJEH-UHFFFAOYSA-N
XLogP3.53
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80941469
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
CID 107794868
2-propyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954909
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940247
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80949589
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine (CID 82861835) is 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(Nc2ccc(Br)c(OC)c2)n1.
What is the InChIKey of 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is ZKZBKCZWZMDJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-3-4-13-18-12(16)8-14(19-13)17-9-5-6-10(15)11(7-9)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine?
4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 337.22 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 82861835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).