2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine

C18H22N6O — CID 16910832

IUPAC2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine
SMILESCCCCN(C)c1nc(Nc2ccc(OC)cc2)c2nccnc2n1
InChIInChI=1S/C18H22N6O/c1-4-5-12-24(2)18-22-16-15(19-10-11-20-16)17(23-18)21-13-6-8-14(25-3)9-7-13/h6-11H,4-5,12H2,1-3H3,(H,20,21,22,23)
InChIKeyKVJCMDOIIGBZDP-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.41
Rot. Bonds7

About 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine

2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine (PubChem CID 16910832) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine
PubChem CID16910832
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine
SMILESCCCCN(C)c1nc(Nc2ccc(OC)cc2)c2nccnc2n1
InChIInChI=1S/C18H22N6O/c1-4-5-12-24(2)18-22-16-15(19-10-11-20-16)17(23-18)21-13-6-8-14(25-3)9-7-13/h6-11H,4-5,12H2,1-3H3,(H,20,21,22,23)
InChIKeyKVJCMDOIIGBZDP-UHFFFAOYSA-N
XLogP3.41
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine
CID 16910636
2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine
CID 16910879
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820881
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20760965
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112900705
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910815
2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
CID 16911174
3-N-butyl-5-N-(3,4-dimethoxyphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960196
N-butyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917120

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine (CID 16910832) is 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine is CCCCN(C)c1nc(Nc2ccc(OC)cc2)c2nccnc2n1.
What is the InChIKey of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine?
The InChIKey is KVJCMDOIIGBZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-4-5-12-24(2)18-22-16-15(19-10-11-20-16)17(23-18)21-13-6-8-14(25-3)9-7-13/h6-11H,4-5,12H2,1-3H3,(H,20,21,22,23).
What are the key properties of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine?
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine has a molecular weight of 338.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine is sourced from PubChem (CID 16910832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).