4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine

C18H22N6O2 — CID 11164068

IUPAC4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
SMILESCC[C@H](C)Nc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)nc12
InChIInChI=1S/C18H22N6O2/c1-5-10(2)21-17-15-16(23-18(19)24-17)20-9-12(22-15)11-6-7-13(25-3)14(8-11)26-4/h6-10H,5H2,1-4H3,(H3,19,20,21,23,24)/t10-/m0/s1
InChIKeyRNVZMGKIYZXWBL-JTQLQIEISA-N
MW354.41 g/mol
LogP2.90
Rot. Bonds6

About 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine

4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine (PubChem CID 11164068) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
PubChem CID11164068
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
SMILESCC[C@H](C)Nc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)nc12
InChIInChI=1S/C18H22N6O2/c1-5-10(2)21-17-15-16(23-18(19)24-17)20-9-12(22-15)11-6-7-13(25-3)14(8-11)26-4/h6-10H,5H2,1-4H3,(H3,19,20,21,23,24)/t10-/m0/s1
InChIKeyRNVZMGKIYZXWBL-JTQLQIEISA-N
XLogP2.90
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine 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

4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 69461952
bis(4-N,4-N-dibenzyl-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine);hydrate
CID 87999021
6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine
CID 69458973
6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
CID 11404593
6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine
CID 11752087
4-(4-cyclopentylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11453334
4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11364490
1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one
CID 69451906
4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine
CID 68777622
4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride
CID 11996837
4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 69452297
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-phenylpiperazine-1-carboxamide
CID 11318021

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine (CID 11164068) is 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine is CC[C@H](C)Nc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)nc12.
What is the InChIKey of 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine?
The InChIKey is RNVZMGKIYZXWBL-JTQLQIEISA-N. The full InChI is InChI=1S/C18H22N6O2/c1-5-10(2)21-17-15-16(23-18(19)24-17)20-9-12(22-15)11-6-7-13(25-3)14(8-11)26-4/h6-10H,5H2,1-4H3,(H3,19,20,21,23,24)/t10-/m0/s1.
What are the key properties of 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine?
4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine has a molecular weight of 354.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 11164068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).