2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C18H21N3OS — CID 100926026

IUPAC2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2ccc(OC)cc2)c2ccsc2n1
InChIInChI=1S/C18H21N3OS/c1-3-4-5-16-20-17(15-10-11-23-18(15)21-16)19-12-13-6-8-14(22-2)9-7-13/h6-11H,3-5,12H2,1-2H3,(H,19,20,21)
InChIKeyVFLRLIZVUWDMOF-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.65
Rot. Bonds7

About 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 100926026) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID100926026
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCc2ccc(OC)cc2)c2ccsc2n1
InChIInChI=1S/C18H21N3OS/c1-3-4-5-16-20-17(15-10-11-23-18(15)21-16)19-12-13-6-8-14(22-2)9-7-13/h6-11H,3-5,12H2,1-2H3,(H,19,20,21)
InChIKeyVFLRLIZVUWDMOF-UHFFFAOYSA-N
XLogP4.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-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

2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
2-ethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404042
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 102928811
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188844
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592
2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138046013
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-butyl-N-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 10497499

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 100926026) is 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCCCc1nc(NCc2ccc(OC)cc2)c2ccsc2n1.
What is the InChIKey of 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VFLRLIZVUWDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-3-4-5-16-20-17(15-10-11-23-18(15)21-16)19-12-13-6-8-14(22-2)9-7-13/h6-11H,3-5,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 100926026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).