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

C20H23N5OS — CID 18566748

IUPACN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C20H23N5OS/c1-4-25(5-2)18-13-14(3)21-20(24-18)23-16-10-8-15(9-11-16)22-19(26)17-7-6-12-27-17/h6-13H,4-5H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyUILXXYNKKIXXDU-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.69
Rot. Bonds7

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

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 18566748) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide
PubChem CID18566748
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C20H23N5OS/c1-4-25(5-2)18-13-14(3)21-20(24-18)23-16-10-8-15(9-11-16)22-19(26)17-7-6-12-27-17/h6-13H,4-5H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyUILXXYNKKIXXDU-UHFFFAOYSA-N
XLogP4.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide (CID 18566748) is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide is CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccs3)cc2)n1.
What is the InChIKey of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is UILXXYNKKIXXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-4-25(5-2)18-13-14(3)21-20(24-18)23-16-10-8-15(9-11-16)22-19(26)17-7-6-12-27-17/h6-13H,4-5H2,1-3H3,(H,22,26)(H,21,23,24).
What are the key properties of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18566748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).