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

C21H21N7O — CID 142202151

IUPAC4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine
SMILESCNc1nc(N)nc2ncc(CNc3cccc(OCc4ccccc4)c3)nc12
InChIInChI=1S/C21H21N7O/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/h2-10,12,24H,11,13H2,1H3,(H3,22,23,25,27,28)
InChIKeyYOTUNWMCOYQLKJ-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.23
Rot. Bonds7

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

4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine (PubChem CID 142202151) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine
PubChem CID142202151
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine
SMILESCNc1nc(N)nc2ncc(CNc3cccc(OCc4ccccc4)c3)nc12
InChIInChI=1S/C21H21N7O/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/h2-10,12,24H,11,13H2,1H3,(H3,22,23,25,27,28)
InChIKeyYOTUNWMCOYQLKJ-UHFFFAOYSA-N
XLogP3.23
TPSA110.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine
CID 142202150
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 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine (CID 142202151) is 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine is CNc1nc(N)nc2ncc(CNc3cccc(OCc4ccccc4)c3)nc12.
What is the InChIKey of 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine?
The InChIKey is YOTUNWMCOYQLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/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/h2-10,12,24H,11,13H2,1H3,(H3,22,23,25,27,28).
What are the key properties of 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine?
4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine has a molecular weight of 387.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[(3-phenylmethoxyanilino)methyl]pteridine-2,4-diamine is sourced from PubChem (CID 142202151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).