N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide

C17H20N4O3 — CID 109295787

IUPACN-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNc2nccc(C(=O)NC3CC3)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-10-19-17-18-9-8-15(21-17)16(22)20-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyVYDOBORMABEEFD-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.87
Rot. Bonds8

About N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide

N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109295787) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
PubChem CID109295787
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNc2nccc(C(=O)NC3CC3)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-10-19-17-18-9-8-15(21-17)16(22)20-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyVYDOBORMABEEFD-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

N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109295590
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109322159
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
N-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109311111
N-[(2-fluorophenyl)methyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109305399

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide (CID 109295787) is N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide is COc1ccc(OCCNc2nccc(C(=O)NC3CC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is VYDOBORMABEEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-10-19-17-18-9-8-15(21-17)16(22)20-12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide?
N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]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 N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109295787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).