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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Verubulin
CID 11414799
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
CP-31398
CID 9950868
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
2,4-Disubstituted Pyrimidine 2g
CID 5329420
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709

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).