6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C18H19N5O4 — CID 109353668

IUPAC6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNc2cc(C(=O)Nc3cc(C)on3)ncn2)cc1
InChIInChI=1S/C18H19N5O4/c1-12-9-17(23-27-12)22-18(24)15-10-16(21-11-20-15)19-7-8-26-14-5-3-13(25-2)4-6-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyPDNCAHYEOIQODU-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.52
Rot. Bonds8

About 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109353668) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109353668
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNc2cc(C(=O)Nc3cc(C)on3)ncn2)cc1
InChIInChI=1S/C18H19N5O4/c1-12-9-17(23-27-12)22-18(24)15-10-16(21-11-20-15)19-7-8-26-14-5-3-13(25-2)4-6-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyPDNCAHYEOIQODU-UHFFFAOYSA-N
XLogP2.52
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109341446
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353387
N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
6-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112875874
5-[(4-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109190552
4-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109206386
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
4-N-(3-methoxypropyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109082638
6-(butan-2-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109340762

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109353668) is 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is COc1ccc(OCCNc2cc(C(=O)Nc3cc(C)on3)ncn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is PDNCAHYEOIQODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-12-9-17(23-27-12)22-18(24)15-10-16(21-11-20-15)19-7-8-26-14-5-3-13(25-2)4-6-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,21)(H,22,23,24).
What are the key properties of 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).