2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine

C18H14FN5S — CID 123317588

IUPAC2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine
SMILESCc1cccc(Nc2csc3c(N)nc(-c4ccncc4F)nc23)c1
InChIInChI=1S/C18H14FN5S/c1-10-3-2-4-11(7-10)22-14-9-25-16-15(14)23-18(24-17(16)20)12-5-6-21-8-13(12)19/h2-9,22H,1H3,(H2,20,23,24)
InChIKeyVMHDVPPJMSRBEB-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.53
Rot. Bonds3

About 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine

2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine (PubChem CID 123317588) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine
PubChem CID123317588
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine
SMILESCc1cccc(Nc2csc3c(N)nc(-c4ccncc4F)nc23)c1
InChIInChI=1S/C18H14FN5S/c1-10-3-2-4-11(7-10)22-14-9-25-16-15(14)23-18(24-17(16)20)12-5-6-21-8-13(12)19/h2-9,22H,1H3,(H2,20,23,24)
InChIKeyVMHDVPPJMSRBEB-UHFFFAOYSA-N
XLogP4.53
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
4-(2-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 10647870
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301
2,6-difluoro-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 54902575
1-N-[7-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123590739
6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
4-fluoro-5-methoxy-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 63600094
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463
2-chloro-4-N-(3-methylphenyl)pyridine-3,4-diamine
CID 84697272
4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole
CID 104739144

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine (CID 123317588) is 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine is Cc1cccc(Nc2csc3c(N)nc(-c4ccncc4F)nc23)c1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine?
The InChIKey is VMHDVPPJMSRBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c1-10-3-2-4-11(7-10)22-14-9-25-16-15(14)23-18(24-17(16)20)12-5-6-21-8-13(12)19/h2-9,22H,1H3,(H2,20,23,24).
What are the key properties of 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine?
2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine has a molecular weight of 351.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 123317588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).