N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide

C18H18N4OS — CID 3234409

IUPACN,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(NCc3cccs3)ncn2)cc1
InChIInChI=1S/C18H18N4OS/c1-22(2)18(23)14-7-5-13(6-8-14)16-10-17(21-12-20-16)19-11-15-4-3-9-24-15/h3-10,12H,11H2,1-2H3,(H,19,20,21)
InChIKeyNBGJZJBYWHWVCP-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.52
Rot. Bonds5

About N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide

N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide (PubChem CID 3234409) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide
PubChem CID3234409
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(NCc3cccs3)ncn2)cc1
InChIInChI=1S/C18H18N4OS/c1-22(2)18(23)14-7-5-13(6-8-14)16-10-17(21-12-20-16)19-11-15-4-3-9-24-15/h3-10,12H,11H2,1-2H3,(H,19,20,21)
InChIKeyNBGJZJBYWHWVCP-UHFFFAOYSA-N
XLogP3.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CID 16660135
4-Amino-18,20-Dimethyl-7-Thia-3,5,11,15-Tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-Hexaene-10,16-Dione
CID 49784851
US11685744, Example 56
CID 164709790
8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
4-Amino-20,22-dimethyl-7-thia-3,5,11,17-tetrazatricyclo[17.3.1.12,6]tetracosa-1(23),2(24),3,5,19,21-hexaene-10,18-dione
CID 24905347
4-Amino-19,21-dimethyl-7-thia-3,5,11,16-tetrazatricyclo[16.3.1.12,6]tricosa-1(22),2(23),3,5,18,20-hexaene-10,17-dione
CID 25176819
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
(18F)Fitm
CID 53233900
N-[2-(dimethylamino)ethyl]-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127025790

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide (CID 3234409) is N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide is CN(C)C(=O)c1ccc(-c2cc(NCc3cccs3)ncn2)cc1.
What is the InChIKey of N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide?
The InChIKey is NBGJZJBYWHWVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-22(2)18(23)14-7-5-13(6-8-14)16-10-17(21-12-20-16)19-11-15-4-3-9-24-15/h3-10,12H,11H2,1-2H3,(H,19,20,21).
What are the key properties of N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide?
N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide has a molecular weight of 338.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 3234409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).