N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide

C18H25N5OS — CID 141223776

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide
SMILESCc1nc(NC2CCC(NC(=O)c3cccs3)CC2)cc(N(C)C)n1
InChIInChI=1S/C18H25N5OS/c1-12-19-16(11-17(20-12)23(2)3)21-13-6-8-14(9-7-13)22-18(24)15-5-4-10-25-15/h4-5,10-11,13-14H,6-9H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyARHDPZKQPSAMTK-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.07
Rot. Bonds5

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide (PubChem CID 141223776) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide
PubChem CID141223776
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide
SMILESCc1nc(NC2CCC(NC(=O)c3cccs3)CC2)cc(N(C)C)n1
InChIInChI=1S/C18H25N5OS/c1-12-19-16(11-17(20-12)23(2)3)21-13-6-8-14(9-7-13)22-18(24)15-5-4-10-25-15/h4-5,10-11,13-14H,6-9H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyARHDPZKQPSAMTK-UHFFFAOYSA-N
XLogP3.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide (CID 141223776) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide is Cc1nc(NC2CCC(NC(=O)c3cccs3)CC2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is ARHDPZKQPSAMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12-19-16(11-17(20-12)23(2)3)21-13-6-8-14(9-7-13)22-18(24)15-5-4-10-25-15/h4-5,10-11,13-14H,6-9H2,1-3H3,(H,22,24)(H,19,20,21).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 141223776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).