2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

C18H24N4O2 — CID 109260197

IUPAC2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCCN(CC)c1ncc(C(=O)NCCc2ccccc2OC)cn1
InChIInChI=1S/C18H24N4O2/c1-4-22(5-2)18-20-12-15(13-21-18)17(23)19-11-10-14-8-6-7-9-16(14)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyBBOHZPHTICKNDN-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.30
Rot. Bonds8

About 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109260197) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109260197
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCCN(CC)c1ncc(C(=O)NCCc2ccccc2OC)cn1
InChIInChI=1S/C18H24N4O2/c1-4-22(5-2)18-20-12-15(13-21-18)17(23)19-11-10-14-8-6-7-9-16(14)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyBBOHZPHTICKNDN-UHFFFAOYSA-N
XLogP2.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
CID 46963233
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
2-N,2-N-diethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088102
2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172735
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
6-(butan-2-ylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109151959
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260242
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (CID 109260197) is 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is CCN(CC)c1ncc(C(=O)NCCc2ccccc2OC)cn1.
What is the InChIKey of 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is BBOHZPHTICKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-22(5-2)18-20-12-15(13-21-18)17(23)19-11-10-14-8-6-7-9-16(14)24-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,23).
What are the key properties of 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).