N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine

C21H31N5O — CID 24768331

IUPACN-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(OC)cc1C
InChIInChI=1S/C21H31N5O/c1-6-8-12-25(7-2)20-19-21(24-16(4)23-20)26(13-11-22-19)18-10-9-17(27-5)14-15(18)3/h9-10,14,22H,6-8,11-13H2,1-5H3
InChIKeyHEEPFVNZZABBFA-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.29
Rot. Bonds7

About N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine

N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine (PubChem CID 24768331) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine
PubChem CID24768331
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(OC)cc1C
InChIInChI=1S/C21H31N5O/c1-6-8-12-25(7-2)20-19-21(24-16(4)23-20)26(13-11-22-19)18-10-9-17(27-5)14-15(18)3/h9-10,14,22H,6-8,11-13H2,1-5H3
InChIKeyHEEPFVNZZABBFA-UHFFFAOYSA-N
XLogP4.29
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine?
The IUPAC name of N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine (CID 24768331) is N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine.
What is the SMILES notation for N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine?
The canonical SMILES for N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine is CCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(OC)cc1C.
What is the InChIKey of N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine?
The InChIKey is HEEPFVNZZABBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-6-8-12-25(7-2)20-19-21(24-16(4)23-20)26(13-11-22-19)18-10-9-17(27-5)14-15(18)3/h9-10,14,22H,6-8,11-13H2,1-5H3.
What are the key properties of N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine?
N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine has a molecular weight of 369.51 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-pteridin-4-amine is sourced from PubChem (CID 24768331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).