N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide

C19H15N5OS — CID 146654140

IUPACN-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide
SMILESCc1ccnc(Nc2nc(-c3cccc(NC=O)c3)nc3ccsc23)c1
InChIInChI=1S/C19H15N5OS/c1-12-5-7-20-16(9-12)23-19-17-15(6-8-26-17)22-18(24-19)13-3-2-4-14(10-13)21-11-25/h2-11H,1H3,(H,21,25)(H,20,22,23,24)
InChIKeyAEPPSWCKDAFVGV-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.37
Rot. Bonds5

About N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide

N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide (PubChem CID 146654140) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide
PubChem CID146654140
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide
SMILESCc1ccnc(Nc2nc(-c3cccc(NC=O)c3)nc3ccsc23)c1
InChIInChI=1S/C19H15N5OS/c1-12-5-7-20-16(9-12)23-19-17-15(6-8-26-17)22-18(24-19)13-3-2-4-14(10-13)21-11-25/h2-11H,1H3,(H,21,25)(H,20,22,23,24)
InChIKeyAEPPSWCKDAFVGV-UHFFFAOYSA-N
XLogP4.37
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide?
The IUPAC name of N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide (CID 146654140) is N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide.
What is the SMILES notation for N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide?
The canonical SMILES for N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide is Cc1ccnc(Nc2nc(-c3cccc(NC=O)c3)nc3ccsc23)c1.
What is the InChIKey of N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide?
The InChIKey is AEPPSWCKDAFVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-12-5-7-20-16(9-12)23-19-17-15(6-8-26-17)22-18(24-19)13-3-2-4-14(10-13)21-11-25/h2-11H,1H3,(H,21,25)(H,20,22,23,24).
What are the key properties of N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide?
N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide has a molecular weight of 361.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-methyl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-2-yl]phenyl]formamide is sourced from PubChem (CID 146654140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).