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

C17H19N7O2 — CID 165112268

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3O)n2)cn1
InChIInChI=1S/C17H19N7O2/c1-2-24-10-12(8-21-24)22-17-20-9-13(15(18)26)16(23-17)19-7-11-5-3-4-6-14(11)25/h3-6,8-10,25H,2,7H2,1H3,(H2,18,26)(H2,19,20,22,23)
InChIKeyLDIRAKBDMKKGKY-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.85
Rot. Bonds7

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

2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 165112268) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID165112268
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3O)n2)cn1
InChIInChI=1S/C17H19N7O2/c1-2-24-10-12(8-21-24)22-17-20-9-13(15(18)26)16(23-17)19-7-11-5-3-4-6-14(11)25/h3-6,8-10,25H,2,7H2,1H3,(H2,18,26)(H2,19,20,22,23)
InChIKeyLDIRAKBDMKKGKY-UHFFFAOYSA-N
XLogP1.85
TPSA130.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 165112268) is 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccc3O)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is LDIRAKBDMKKGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-2-24-10-12(8-21-24)22-17-20-9-13(15(18)26)16(23-17)19-7-11-5-3-4-6-14(11)25/h3-6,8-10,25H,2,7H2,1H3,(H2,18,26)(H2,19,20,22,23).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 4 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-hydroxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).