2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide

C15H21N5OS — CID 72936455

IUPAC2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCCc1nc(CNC(=O)c2cnc(N(C)C)nc2C)cs1
InChIInChI=1S/C15H21N5OS/c1-5-6-13-19-11(9-22-13)7-16-14(21)12-8-17-15(20(3)4)18-10(12)2/h8-9H,5-7H2,1-4H3,(H,16,21)
InChIKeySBYMVOUBPFVPID-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.19
Rot. Bonds6

About 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide

2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 72936455) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID72936455
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCCc1nc(CNC(=O)c2cnc(N(C)C)nc2C)cs1
InChIInChI=1S/C15H21N5OS/c1-5-6-13-19-11(9-22-13)7-16-14(21)12-8-17-15(20(3)4)18-10(12)2/h8-9H,5-7H2,1-4H3,(H,16,21)
InChIKeySBYMVOUBPFVPID-UHFFFAOYSA-N
XLogP2.19
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide
CID 72866799
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 131918647
2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride
CID 154884970
2-methylsulfanyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 118787881
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810516
2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide
CID 72906705
1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168163
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72874872
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
CID 116890720
N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (CID 72936455) is 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is CCCc1nc(CNC(=O)c2cnc(N(C)C)nc2C)cs1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is SBYMVOUBPFVPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-5-6-13-19-11(9-22-13)7-16-14(21)12-8-17-15(20(3)4)18-10(12)2/h8-9H,5-7H2,1-4H3,(H,16,21).
What are the key properties of 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72936455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).