2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide

C13H18N6OS — CID 72866799

IUPAC2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCCc1nnc(CNC(=O)c2cnc(N(C)C)nc2C)s1
InChIInChI=1S/C13H18N6OS/c1-5-10-17-18-11(21-10)7-14-12(20)9-6-15-13(19(3)4)16-8(9)2/h6H,5,7H2,1-4H3,(H,14,20)
InChIKeySYSPTSIOHZYWOG-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.19
Rot. Bonds5

About 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide

2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 72866799) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID72866799
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCCc1nnc(CNC(=O)c2cnc(N(C)C)nc2C)s1
InChIInChI=1S/C13H18N6OS/c1-5-10-17-18-11(21-10)7-14-12(20)9-6-15-13(19(3)4)16-8(9)2/h6H,5,7H2,1-4H3,(H,14,20)
InChIKeySYSPTSIOHZYWOG-UHFFFAOYSA-N
XLogP1.19
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide (CID 72866799) is 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide is CCc1nnc(CNC(=O)c2cnc(N(C)C)nc2C)s1.
What is the InChIKey of 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is SYSPTSIOHZYWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-5-10-17-18-11(21-10)7-14-12(20)9-6-15-13(19(3)4)16-8(9)2/h6H,5,7H2,1-4H3,(H,14,20).
What are the key properties of 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide?
2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 306.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 72866799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).