N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide

C18H25N5O3 — CID 109252732

IUPACN-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(OCCNc2ncc(C(=O)NCCN(C)C)cn2)cc1
InChIInChI=1S/C18H25N5O3/c1-23(2)10-8-19-17(24)14-12-21-18(22-13-14)20-9-11-26-16-6-4-15(25-3)5-7-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyZKWLOPKTSAXNOL-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.27
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109252732) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
PubChem CID109252732
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(OCCNc2ncc(C(=O)NCCN(C)C)cn2)cc1
InChIInChI=1S/C18H25N5O3/c1-23(2)10-8-19-17(24)14-12-21-18(22-13-14)20-9-11-26-16-6-4-15(25-3)5-7-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyZKWLOPKTSAXNOL-UHFFFAOYSA-N
XLogP1.27
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256110
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262794
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109252791
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109262764
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide (CID 109252732) is N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide is COc1ccc(OCCNc2ncc(C(=O)NCCN(C)C)cn2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is ZKWLOPKTSAXNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-23(2)10-8-19-17(24)14-12-21-18(22-13-14)20-9-11-26-16-6-4-15(25-3)5-7-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109252732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).