2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide

C17H20N4O3 — CID 109295590

IUPAC2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(NC3CC3)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-10-18-16(22)15-8-9-19-17(21-15)20-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyMZYWZEVHBOKTNA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.87
Rot. Bonds8

About 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide

2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide (PubChem CID 109295590) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
PubChem CID109295590
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc(NC3CC3)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-10-18-16(22)15-8-9-19-17(21-15)20-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyMZYWZEVHBOKTNA-UHFFFAOYSA-N
XLogP1.87
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109295787
5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109271821
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109311143
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
N-[(2-fluorophenyl)methyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109305399
2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109295559

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide (CID 109295590) is 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide is COc1ccc(OCCNC(=O)c2ccnc(NC3CC3)n2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide?
The InChIKey is MZYWZEVHBOKTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-10-18-16(22)15-8-9-19-17(21-15)20-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide?
2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109295590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).