N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C19H24ClN5O2 — CID 109344446

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C19H24ClN5O2/c20-16-3-1-15(2-4-16)5-6-22-19(26)17-13-18(24-14-23-17)21-7-8-25-9-11-27-12-10-25/h1-4,13-14H,5-12H2,(H,22,26)(H,21,23,24)
InChIKeyXRRDTTCTTNPJDD-UHFFFAOYSA-N
MW389.89 g/mol
LogP1.85
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109344446) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109344446
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C19H24ClN5O2/c20-16-3-1-15(2-4-16)5-6-22-19(26)17-13-18(24-14-23-17)21-7-8-25-9-11-27-12-10-25/h1-4,13-14H,5-12H2,(H,22,26)(H,21,23,24)
InChIKeyXRRDTTCTTNPJDD-UHFFFAOYSA-N
XLogP1.85
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344495
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109344569
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344416
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366361
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109344446) is N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is XRRDTTCTTNPJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c20-16-3-1-15(2-4-16)5-6-22-19(26)17-13-18(24-14-23-17)21-7-8-25-9-11-27-12-10-25/h1-4,13-14H,5-12H2,(H,22,26)(H,21,23,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).