2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide

C13H18N6O — CID 92562801

IUPAC2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1ccnn1CCNC(=O)c1cnc(N(C)C)nc1
InChIInChI=1S/C13H18N6O/c1-10-4-5-17-19(10)7-6-14-12(20)11-8-15-13(16-9-11)18(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,20)
InChIKeyJWPDFRZCNISSGZ-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.48
Rot. Bonds5

About 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide

2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 92562801) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID92562801
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1ccnn1CCNC(=O)c1cnc(N(C)C)nc1
InChIInChI=1S/C13H18N6O/c1-10-4-5-17-19(10)7-6-14-12(20)11-8-15-13(16-9-11)18(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,20)
InChIKeyJWPDFRZCNISSGZ-UHFFFAOYSA-N
XLogP0.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide (CID 92562801) is 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide is Cc1ccnn1CCNC(=O)c1cnc(N(C)C)nc1.
What is the InChIKey of 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is JWPDFRZCNISSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-4-5-17-19(10)7-6-14-12(20)11-8-15-13(16-9-11)18(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,20).
What are the key properties of 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92562801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).