5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine

C19H18N4OS — CID 143295061

IUPAC5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
SMILESCN.Cc1nc(-c2cccc3ccccc23)nc2sc(C=O)c(N)c12
InChIInChI=1S/C18H13N3OS.CH5N/c1-10-15-16(19)14(9-22)23-18(15)21-17(20-10)13-8-4-6-11-5-2-3-7-12(11)13;1-2/h2-9H,19H2,1H3;2H2,1H3
InChIKeyMZVPVFOOVDIYSA-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.79
Rot. Bonds2

About 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine

5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine (PubChem CID 143295061) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine.

Molecular Properties

Compound Name5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
PubChem CID143295061
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
SMILESCN.Cc1nc(-c2cccc3ccccc23)nc2sc(C=O)c(N)c12
InChIInChI=1S/C18H13N3OS.CH5N/c1-10-15-16(19)14(9-22)23-18(15)21-17(20-10)13-8-4-6-11-5-2-3-7-12(11)13;1-2/h2-9H,19H2,1H3;2H2,1H3
InChIKeyMZVPVFOOVDIYSA-UHFFFAOYSA-N
XLogP3.79
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4,6-dimethyl-2-naphthalen-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62744265
6-methyl-2-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 62916015
3-amino-8-propyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbaldehyde
CID 166975756
4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine
CID 66293961
2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 62203179
4-naphthalen-1-ylisoquinoline-1-carbaldehyde
CID 174968926
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132
3-ethyl-7-methyl-1-benzothiophene-2-carbaldehyde
CID 131124494
3-methylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374291
5-naphthalen-1-yl-1,3-thiazol-2-amine
CID 17015170
4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine
CID 172847856
3-ethylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374274

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine?
The IUPAC name of 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine (CID 143295061) is 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine.
What is the SMILES notation for 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine?
The canonical SMILES for 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine is CN.Cc1nc(-c2cccc3ccccc23)nc2sc(C=O)c(N)c12.
What is the InChIKey of 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine?
The InChIKey is MZVPVFOOVDIYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS.CH5N/c1-10-15-16(19)14(9-22)23-18(15)21-17(20-10)13-8-4-6-11-5-2-3-7-12(11)13;1-2/h2-9H,19H2,1H3;2H2,1H3.
What are the key properties of 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine?
5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine has a molecular weight of 350.45 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine is sourced from PubChem (CID 143295061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).