2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide

C16H16Cl2N4O2 — CID 91967359

IUPAC2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N4O2/c17-11-1-2-13(14(18)9-11)15(23)20-10-12-3-4-19-16(21-12)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,20,23)
InChIKeySNTIEJOBRQHFCF-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.55
Rot. Bonds4

About 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide

2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 91967359) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID91967359
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC Name2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N4O2/c17-11-1-2-13(14(18)9-11)15(23)20-10-12-3-4-19-16(21-12)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,20,23)
InChIKeySNTIEJOBRQHFCF-UHFFFAOYSA-N
XLogP2.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122353371
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 122353608
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967427
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide
CID 122255172
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (CID 91967359) is 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is SNTIEJOBRQHFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c17-11-1-2-13(14(18)9-11)15(23)20-10-12-3-4-19-16(21-12)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,20,23).
What are the key properties of 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 367.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 91967359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).