6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C17H19ClFN5O2 — CID 109344634

IUPAC6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C17H19ClFN5O2/c18-13-9-12(1-2-14(13)19)23-16-10-15(21-11-22-16)17(25)20-3-4-24-5-7-26-8-6-24/h1-2,9-11H,3-8H2,(H,20,25)(H,21,22,23)
InChIKeyNHTWYUBYMOVBFZ-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.07
Rot. Bonds6

About 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109344634) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109344634
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC Name6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1
InChIInChI=1S/C17H19ClFN5O2/c18-13-9-12(1-2-14(13)19)23-16-10-15(21-11-22-16)17(25)20-3-4-24-5-7-26-8-6-24/h1-2,9-11H,3-8H2,(H,20,25)(H,21,22,23)
InChIKeyNHTWYUBYMOVBFZ-UHFFFAOYSA-N
XLogP2.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344662
N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109344651
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58784346
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115731
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717
N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109344569
6-(3-chloroanilino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366518

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 109344634) is 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(Nc2ccc(F)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is NHTWYUBYMOVBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c18-13-9-12(1-2-14(13)19)23-16-10-15(21-11-22-16)17(25)20-3-4-24-5-7-26-8-6-24/h1-2,9-11H,3-8H2,(H,20,25)(H,21,22,23).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).