2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide

C15H22N6O — CID 71688915

IUPAC2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)Nc2cnn(CC)c2)n1
InChIInChI=1S/C15H22N6O/c1-5-20(6-2)15-17-11(4)8-13(19-15)14(22)18-12-9-16-21(7-3)10-12/h8-10H,5-7H2,1-4H3,(H,18,22)
InChIKeyKXEURFGBJJAIMP-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.10
Rot. Bonds6

About 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide

2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 71688915) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID71688915
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)Nc2cnn(CC)c2)n1
InChIInChI=1S/C15H22N6O/c1-5-20(6-2)15-17-11(4)8-13(19-15)14(22)18-12-9-16-21(7-3)10-12/h8-10H,5-7H2,1-4H3,(H,18,22)
InChIKeyKXEURFGBJJAIMP-UHFFFAOYSA-N
XLogP2.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide (CID 71688915) is 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide is CCN(CC)c1nc(C)cc(C(=O)Nc2cnn(CC)c2)n1.
What is the InChIKey of 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is KXEURFGBJJAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-5-20(6-2)15-17-11(4)8-13(19-15)14(22)18-12-9-16-21(7-3)10-12/h8-10H,5-7H2,1-4H3,(H,18,22).
What are the key properties of 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide?
2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 71688915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).