N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine

C19H15N3OS — CID 22112865

IUPACN-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4ccsc34)cc2)cc1
InChIInChI=1S/C19H15N3OS/c1-2-4-14(5-3-1)12-23-16-8-6-15(7-9-16)22-19-18-17(10-11-24-18)20-13-21-19/h1-11,13H,12H2,(H,20,21,22)
InChIKeyFZALGTPXQZDQND-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.01
Rot. Bonds5

About N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine

N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 22112865) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID22112865
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4ccsc34)cc2)cc1
InChIInChI=1S/C19H15N3OS/c1-2-4-14(5-3-1)12-23-16-8-6-15(7-9-16)22-19-18-17(10-11-24-18)20-13-21-19/h1-11,13H,12H2,(H,20,21,22)
InChIKeyFZALGTPXQZDQND-UHFFFAOYSA-N
XLogP5.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 22112828
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 23631937
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698116
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23966453
N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155755946

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (CID 22112865) is N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is c1ccc(COc2ccc(Nc3ncnc4ccsc34)cc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FZALGTPXQZDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-2-4-14(5-3-1)12-23-16-8-6-15(7-9-16)22-19-18-17(10-11-24-18)20-13-21-19/h1-11,13H,12H2,(H,20,21,22).
What are the key properties of N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 22112865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).