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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Related Compounds

Crt 0066101
CID 136189563
US11344549, Example 7
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CID 141747698
US11344549, Example 152
CID 141747722
US11344549, Example 151
CID 141747724
US11344549, Example 153
CID 141747735
US11344549, Example 145
CID 141747736
US11344549, Example 168
CID 141747742
US11344549, Example 159
CID 141747751
US11344549, Example 160
CID 141747753
US11344549, Example 166
CID 141747782
US11344549, Example 163
CID 141747828

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).