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

C19H16N4S — CID 68621787

IUPACN-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CNc2ncnc3scc(-c4ccccc4)c23)n1
InChIInChI=1S/C19H16N4S/c1-13-6-5-9-15(23-13)10-20-18-17-16(14-7-3-2-4-8-14)11-24-19(17)22-12-21-18/h2-9,11-12H,10H2,1H3,(H,20,21,22)
InChIKeyNLYJZQGFMADMIC-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.67
Rot. Bonds4

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

N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 68621787) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID68621787
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CNc2ncnc3scc(-c4ccccc4)c23)n1
InChIInChI=1S/C19H16N4S/c1-13-6-5-9-15(23-13)10-20-18-17-16(14-7-3-2-4-8-14)11-24-19(17)22-12-21-18/h2-9,11-12H,10H2,1H3,(H,20,21,22)
InChIKeyNLYJZQGFMADMIC-UHFFFAOYSA-N
XLogP4.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 66835775
5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 705842
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68621492
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
5-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17010811
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylaniline
CID 79262883
2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 68604925
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505096

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 68621787) is N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1cccc(CNc2ncnc3scc(-c4ccccc4)c23)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NLYJZQGFMADMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-13-6-5-9-15(23-13)10-20-18-17-16(14-7-3-2-4-8-14)11-24-19(17)22-12-21-18/h2-9,11-12H,10H2,1H3,(H,20,21,22).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 332.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68621787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).