2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide

C13H19N7O2 — CID 165112238

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCCOC)n2)cn1
InChIInChI=1S/C13H19N7O2/c1-3-20-8-9(6-17-20)18-13-16-7-10(11(14)21)12(19-13)15-4-5-22-2/h6-8H,3-5H2,1-2H3,(H2,14,21)(H2,15,16,18,19)
InChIKeyWTKRSPTYZNOJGY-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.59
Rot. Bonds8

About 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide

2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide (PubChem CID 165112238) has the molecular formula C13H19N7O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
PubChem CID165112238
Molecular FormulaC13H19N7O2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCCOC)n2)cn1
InChIInChI=1S/C13H19N7O2/c1-3-20-8-9(6-17-20)18-13-16-7-10(11(14)21)12(19-13)15-4-5-22-2/h6-8H,3-5H2,1-2H3,(H2,14,21)(H2,15,16,18,19)
InChIKeyWTKRSPTYZNOJGY-UHFFFAOYSA-N
XLogP0.59
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide (CID 165112238) is 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCCOC)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The InChIKey is WTKRSPTYZNOJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2/c1-3-20-8-9(6-17-20)18-13-16-7-10(11(14)21)12(19-13)15-4-5-22-2/h6-8H,3-5H2,1-2H3,(H2,14,21)(H2,15,16,18,19).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 165112238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).