N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide

C18H19N5OS — CID 44522256

IUPACN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide
SMILESCCNc1cc(C)nc(Nc2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C18H19N5OS/c1-3-19-16-11-12(2)20-18(23-16)22-14-8-6-13(7-9-14)21-17(24)15-5-4-10-25-15/h4-11H,3H2,1-2H3,(H,21,24)(H2,19,20,22,23)
InChIKeyAUBMOGHIWQNIGQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.27
Rot. Bonds6

About N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 44522256) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide
PubChem CID44522256
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide
SMILESCCNc1cc(C)nc(Nc2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C18H19N5OS/c1-3-19-16-11-12(2)20-18(23-16)22-14-8-6-13(7-9-14)21-17(24)15-5-4-10-25-15/h4-11H,3H2,1-2H3,(H,21,24)(H2,19,20,22,23)
InChIKeyAUBMOGHIWQNIGQ-UHFFFAOYSA-N
XLogP4.27
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide (CID 44522256) is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide is CCNc1cc(C)nc(Nc2ccc(NC(=O)c3cccs3)cc2)n1.
What is the InChIKey of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is AUBMOGHIWQNIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-3-19-16-11-12(2)20-18(23-16)22-14-8-6-13(7-9-14)21-17(24)15-5-4-10-25-15/h4-11H,3H2,1-2H3,(H,21,24)(H2,19,20,22,23).
What are the key properties of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 44522256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).