2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H10ClF2N3S — CID 103321095

IUPAC2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccc(F)c(F)c3)nc(Cl)nc2s1
InChIInChI=1S/C14H10ClF2N3S/c1-7-4-9-12(19-14(15)20-13(9)21-7)18-6-8-2-3-10(16)11(17)5-8/h2-5H,6H2,1H3,(H,18,19,20)
InChIKeyNITBYIUDCFYGST-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.54
Rot. Bonds3

About 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321095) has the molecular formula C14H10ClF2N3S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103321095
Molecular FormulaC14H10ClF2N3S
Molecular Weight325.77 g/mol
Exact Mass325.03
IUPAC Name2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccc(F)c(F)c3)nc(Cl)nc2s1
InChIInChI=1S/C14H10ClF2N3S/c1-7-4-9-12(19-14(15)20-13(9)21-7)18-6-8-2-3-10(16)11(17)5-8/h2-5H,6H2,1H3,(H,18,19,20)
InChIKeyNITBYIUDCFYGST-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257712
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066295
2-chloro-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114156486
2-chloro-N-[3-[4-(5-fluoropyrazin-2-yl)phenyl]propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 166120163
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
2-chloro-6-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321462
4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
CID 103327161
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103321095) is 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3ccc(F)c(F)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NITBYIUDCFYGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3S/c1-7-4-9-12(19-14(15)20-13(9)21-7)18-6-8-2-3-10(16)11(17)5-8/h2-5H,6H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 325.77 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).