2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

C18H20Cl2N4O2 — CID 109252395

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(NCCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C18H20Cl2N4O2/c19-14-4-3-12(16(20)8-14)5-6-21-18-23-9-13(10-24-18)17(25)22-11-15-2-1-7-26-15/h3-4,8-10,15H,1-2,5-7,11H2,(H,22,25)(H,21,23,24)
InChIKeyGSOAJWPCHRYPSF-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.35
Rot. Bonds7

About 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109252395) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109252395
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(NCCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C18H20Cl2N4O2/c19-14-4-3-12(16(20)8-14)5-6-21-18-23-9-13(10-24-18)17(25)22-11-15-2-1-7-26-15/h3-4,8-10,15H,1-2,5-7,11H2,(H,22,25)(H,21,23,24)
InChIKeyGSOAJWPCHRYPSF-UHFFFAOYSA-N
XLogP3.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153660
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 108994371
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252745
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886912
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252405
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109252395) is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is O=C(NCC1CCCO1)c1cnc(NCCc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is GSOAJWPCHRYPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c19-14-4-3-12(16(20)8-14)5-6-21-18-23-9-13(10-24-18)17(25)22-11-15-2-1-7-26-15/h3-4,8-10,15H,1-2,5-7,11H2,(H,22,25)(H,21,23,24).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).