ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine

C23H27N7O — CID 142202150

IUPACethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine
SMILESCC.CNc1nc(N)nc2ncc(CNc3cccc(OCc4ccccc4)c3)nc12
InChIInChI=1S/C21H21N7O.C2H6/c1-23-19-18-20(28-21(22)27-19)25-12-16(26-18)11-24-15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14;1-2/h2-10,12,24H,11,13H2,1H3,(H3,22,23,25,27,28);1-2H3
InChIKeyMZJSQQLWCXFHLW-UHFFFAOYSA-N
MW417.52 g/mol
LogP4.26
Rot. Bonds7

About ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine

ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine (PubChem CID 142202150) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine.

Molecular Properties

Compound Nameethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine
PubChem CID142202150
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Nameethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine
SMILESCC.CNc1nc(N)nc2ncc(CNc3cccc(OCc4ccccc4)c3)nc12
InChIInChI=1S/C21H21N7O.C2H6/c1-23-19-18-20(28-21(22)27-19)25-12-16(26-18)11-24-15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14;1-2/h2-10,12,24H,11,13H2,1H3,(H3,22,23,25,27,28);1-2H3
InChIKeyMZJSQQLWCXFHLW-UHFFFAOYSA-N
XLogP4.26
TPSA110.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine
CID 142202151
N-benzyl-3-phenylmethoxyaniline
CID 54801332
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284
bis[[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]methoxy]-oxophosphanium
CID 123244205
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022

Frequently Asked Questions

What is the IUPAC name of ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine?
The IUPAC name of ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine (CID 142202150) is ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine.
What is the SMILES notation for ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine?
The canonical SMILES for ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine is CC.CNc1nc(N)nc2ncc(CNc3cccc(OCc4ccccc4)c3)nc12.
What is the InChIKey of ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine?
The InChIKey is MZJSQQLWCXFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O.C2H6/c1-23-19-18-20(28-21(22)27-19)25-12-16(26-18)11-24-15-8-5-9-17(10-15)29-13-14-6-3-2-4-7-14;1-2/h2-10,12,24H,11,13H2,1H3,(H3,22,23,25,27,28);1-2H3.
What are the key properties of ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine?
ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine has a molecular weight of 417.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine is sourced from PubChem (CID 142202150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).