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

C17H26N6O — CID 72838440

IUPAC2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCCn1nc(C)c(C(C)NC(=O)c2cnc(N(C)C)nc2C)c1C
InChIInChI=1S/C17H26N6O/c1-8-23-13(5)15(12(4)21-23)11(3)19-16(24)14-9-18-17(22(6)7)20-10(14)2/h9,11H,8H2,1-7H3,(H,19,24)
InChIKeyXKTCBYWEDKEAMZ-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.18
Rot. Bonds5

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

2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 72838440) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide
PubChem CID72838440
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCCn1nc(C)c(C(C)NC(=O)c2cnc(N(C)C)nc2C)c1C
InChIInChI=1S/C17H26N6O/c1-8-23-13(5)15(12(4)21-23)11(3)19-16(24)14-9-18-17(22(6)7)20-10(14)2/h9,11H,8H2,1-7H3,(H,19,24)
InChIKeyXKTCBYWEDKEAMZ-UHFFFAOYSA-N
XLogP2.18
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide (CID 72838440) is 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide is CCn1nc(C)c(C(C)NC(=O)c2cnc(N(C)C)nc2C)c1C.
What is the InChIKey of 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is XKTCBYWEDKEAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-8-23-13(5)15(12(4)21-23)11(3)19-16(24)14-9-18-17(22(6)7)20-10(14)2/h9,11H,8H2,1-7H3,(H,19,24).
What are the key properties of 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide?
2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 72838440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).