2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane

C16H18N4O2S — CID 143009743

IUPAC2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane
SMILESCOC.Nc1nc(NCc2ccccc2)c2cc(C=O)sc2n1
InChIInChI=1S/C14H12N4OS.C2H6O/c15-14-17-12(16-7-9-4-2-1-3-5-9)11-6-10(8-19)20-13(11)18-14;1-3-2/h1-6,8H,7H2,(H3,15,16,17,18);1-2H3
InChIKeyKTBGJCCWMPMRMQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.96
Rot. Bonds4

About 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane

2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane (PubChem CID 143009743) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane.

Molecular Properties

Compound Name2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane
PubChem CID143009743
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane
SMILESCOC.Nc1nc(NCc2ccccc2)c2cc(C=O)sc2n1
InChIInChI=1S/C14H12N4OS.C2H6O/c15-14-17-12(16-7-9-4-2-1-3-5-9)11-6-10(8-19)20-13(11)18-14;1-3-2/h1-6,8H,7H2,(H3,15,16,17,18);1-2H3
InChIKeyKTBGJCCWMPMRMQ-UHFFFAOYSA-N
XLogP2.96
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
2-amino-4-methoxythieno[2,3-d]pyrimidine-6-carbaldehyde
CID 82395158
4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
CID 103327161
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
N-benzyl-2,6-dichlorothieno[2,3-d]pyrimidin-4-amine
CID 18460199
4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325532
4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327524
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
N-benzyl-2-chloro-6-nitrothieno[2,3-d]pyrimidin-4-amine
CID 18460015
6-ethyl-4-N-(furan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330480
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane?
The IUPAC name of 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane (CID 143009743) is 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane.
What is the SMILES notation for 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane?
The canonical SMILES for 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane is COC.Nc1nc(NCc2ccccc2)c2cc(C=O)sc2n1.
What is the InChIKey of 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane?
The InChIKey is KTBGJCCWMPMRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS.C2H6O/c15-14-17-12(16-7-9-4-2-1-3-5-9)11-6-10(8-19)20-13(11)18-14;1-3-2/h1-6,8H,7H2,(H3,15,16,17,18);1-2H3.
What are the key properties of 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane?
2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane has a molecular weight of 330.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane is sourced from PubChem (CID 143009743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).