2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide

C14H17N3OS — CID 164637661

IUPAC2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)Cc2ccsc2)nc(C)n1
InChIInChI=1S/C14H17N3OS/c1-9(6-12-4-5-19-8-12)16-14(18)13-7-10(2)15-11(3)17-13/h4-5,7-9H,6H2,1-3H3,(H,16,18)/t9-/m0/s1
InChIKeyJUIJBZDFVMVHOY-VIFPVBQESA-N
MW275.38 g/mol
LogP2.52
Rot. Bonds4

About 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide

2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide (PubChem CID 164637661) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide
PubChem CID164637661
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)Cc2ccsc2)nc(C)n1
InChIInChI=1S/C14H17N3OS/c1-9(6-12-4-5-19-8-12)16-14(18)13-7-10(2)15-11(3)17-13/h4-5,7-9H,6H2,1-3H3,(H,16,18)/t9-/m0/s1
InChIKeyJUIJBZDFVMVHOY-VIFPVBQESA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide (CID 164637661) is 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@@H](C)Cc2ccsc2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is JUIJBZDFVMVHOY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(6-12-4-5-19-8-12)16-14(18)13-7-10(2)15-11(3)17-13/h4-5,7-9H,6H2,1-3H3,(H,16,18)/t9-/m0/s1.
What are the key properties of 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide?
2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 164637661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).