N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C17H19N3OS — CID 9283471

IUPACN-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C17H19N3OS/c1-10-11(2)22-17-15(10)16(19-12(3)20-17)18-9-13-7-5-6-8-14(13)21-4/h5-8H,9H2,1-4H3,(H,18,19,20)
InChIKeyCDNIVSLWPJTVIO-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.24
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9283471) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9283471
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1nc(C)nc2sc(C)c(C)c12
InChIInChI=1S/C17H19N3OS/c1-10-11(2)22-17-15(10)16(19-12(3)20-17)18-9-13-7-5-6-8-14(13)21-4/h5-8H,9H2,1-4H3,(H,18,19,20)
InChIKeyCDNIVSLWPJTVIO-UHFFFAOYSA-N
XLogP4.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
N-(3-methoxyphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4225944
N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2125559
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 28844051
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
N-[(2-methoxy-3-pyridinyl)methyl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 30826150
methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 4549818
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 153457288
4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55012041
N-(2,6-dimethylphenyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195720

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 9283471) is N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccccc1CNc1nc(C)nc2sc(C)c(C)c12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CDNIVSLWPJTVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-10-11(2)22-17-15(10)16(19-12(3)20-17)18-9-13-7-5-6-8-14(13)21-4/h5-8H,9H2,1-4H3,(H,18,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9283471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).