2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine

C14H12ClN5O — CID 82459612

IUPAC2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine
SMILESCOc1ccc(CNc2nc(Cl)nc3nccnc23)cc1
InChIInChI=1S/C14H12ClN5O/c1-21-10-4-2-9(3-5-10)8-18-13-11-12(17-7-6-16-11)19-14(15)20-13/h2-7H,8H2,1H3,(H,17,18,19,20)
InChIKeyAJGXACVAJFSNLL-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.69
Rot. Bonds4

About 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine

2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine (PubChem CID 82459612) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine
PubChem CID82459612
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine
SMILESCOc1ccc(CNc2nc(Cl)nc3nccnc23)cc1
InChIInChI=1S/C14H12ClN5O/c1-21-10-4-2-9(3-5-10)8-18-13-11-12(17-7-6-16-11)19-14(15)20-13/h2-7H,8H2,1H3,(H,17,18,19,20)
InChIKeyAJGXACVAJFSNLL-UHFFFAOYSA-N
XLogP2.69
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 87753205
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid
CID 88922199
2-chloro-N-octylpteridin-4-amine
CID 82459563
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine
CID 82459574
4-[[2-chloro-6-[(4-methoxyphenyl)methylamino]purin-9-yl]methyl]benzamide
CID 121390711
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine?
The IUPAC name of 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine (CID 82459612) is 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine?
The canonical SMILES for 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine is COc1ccc(CNc2nc(Cl)nc3nccnc23)cc1.
What is the InChIKey of 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine?
The InChIKey is AJGXACVAJFSNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-21-10-4-2-9(3-5-10)8-18-13-11-12(17-7-6-16-11)19-14(15)20-13/h2-7H,8H2,1H3,(H,17,18,19,20).
What are the key properties of 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine?
2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine has a molecular weight of 301.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine is sourced from PubChem (CID 82459612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).