N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine

C15H14BrN5O — CID 58174262

IUPACN-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
SMILESCOc1ccc(CCNc2ncnc3nccnc23)cc1Br
InChIInChI=1S/C15H14BrN5O/c1-22-12-3-2-10(8-11(12)16)4-5-18-14-13-15(21-9-20-14)19-7-6-17-13/h2-3,6-9H,4-5H2,1H3,(H,18,19,20,21)
InChIKeyMFIGZGIVJKFXHO-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine

N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine (PubChem CID 58174262) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
PubChem CID58174262
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
SMILESCOc1ccc(CCNc2ncnc3nccnc23)cc1Br
InChIInChI=1S/C15H14BrN5O/c1-22-12-3-2-10(8-11(12)16)4-5-18-14-13-15(21-9-20-14)19-7-6-17-13/h2-3,6-9H,4-5H2,1H3,(H,18,19,20,21)
InChIKeyMFIGZGIVJKFXHO-UHFFFAOYSA-N
XLogP2.85
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 58174107
N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine
CID 58174286
N-(2-methoxyethyl)pteridin-4-amine
CID 35197462
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine
CID 59643362
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 51000642
N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174143
N-[2-[3-propoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174065
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338058
N-[2-[4-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174056
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105366661
2-N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 115126408

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine?
The IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine (CID 58174262) is N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine is COc1ccc(CCNc2ncnc3nccnc23)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine?
The InChIKey is MFIGZGIVJKFXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-22-12-3-2-10(8-11(12)16)4-5-18-14-13-15(21-9-20-14)19-7-6-17-13/h2-3,6-9H,4-5H2,1H3,(H,18,19,20,21).
What are the key properties of N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine?
N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine has a molecular weight of 360.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine is sourced from PubChem (CID 58174262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).