N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide

C14H19N5OS — CID 56880610

IUPACN,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)N(C)Cc1snnc1C
InChIInChI=1S/C14H19N5OS/c1-8(2)13-15-6-11(9(3)16-13)14(20)19(5)7-12-10(4)17-18-21-12/h6,8H,7H2,1-5H3
InChIKeyOKZNXYWYCVPNGZ-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.34
Rot. Bonds4

About N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide

N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 56880610) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID56880610
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)N(C)Cc1snnc1C
InChIInChI=1S/C14H19N5OS/c1-8(2)13-15-6-11(9(3)16-13)14(20)19(5)7-12-10(4)17-18-21-12/h6,8H,7H2,1-5H3
InChIKeyOKZNXYWYCVPNGZ-UHFFFAOYSA-N
XLogP2.34
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 56880610) is N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)N(C)Cc1snnc1C.
What is the InChIKey of N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is OKZNXYWYCVPNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8(2)13-15-6-11(9(3)16-13)14(20)19(5)7-12-10(4)17-18-21-12/h6,8H,7H2,1-5H3.
What are the key properties of N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 56880610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).