N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide

C18H24N4O3 — CID 109353387

IUPACN,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCOc2ccc(OC)cc2)ncn1
InChIInChI=1S/C18H24N4O3/c1-4-22(5-2)18(23)16-12-17(21-13-20-16)19-10-11-25-15-8-6-14(24-3)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyIVIVGHKMOGFFEE-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.46
Rot. Bonds9

About N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide

N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109353387) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
PubChem CID109353387
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCOc2ccc(OC)cc2)ncn1
InChIInChI=1S/C18H24N4O3/c1-4-22(5-2)18(23)16-12-17(21-13-20-16)19-10-11-25-15-8-6-14(24-3)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyIVIVGHKMOGFFEE-UHFFFAOYSA-N
XLogP2.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174710
N-cyclopentyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109341446
6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109353668
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
N,N-diethyl-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364679
6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353389
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855321
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109342549
6-(butylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109339838
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide (CID 109353387) is N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(NCCOc2ccc(OC)cc2)ncn1.
What is the InChIKey of N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is IVIVGHKMOGFFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-22(5-2)18(23)16-12-17(21-13-20-16)19-10-11-25-15-8-6-14(24-3)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide?
N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109353387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).