3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide

C17H20ClN5O2 — CID 91969413

IUPAC3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
SMILESCN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN5O2/c1-22(2)15-14(20-16(24)12-4-3-5-13(18)10-12)11-19-17(21-15)23-6-8-25-9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,20,24)
InChIKeyIWWJMMHOXGSANJ-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.28
Rot. Bonds4

About 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide

3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide (PubChem CID 91969413) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
PubChem CID91969413
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
SMILESCN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN5O2/c1-22(2)15-14(20-16(24)12-4-3-5-13(18)10-12)11-19-17(21-15)23-6-8-25-9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,20,24)
InChIKeyIWWJMMHOXGSANJ-UHFFFAOYSA-N
XLogP2.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
CID 91969406
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
CID 91969402
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]pyrazine-2-carboxamide
CID 121137369
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122320418
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
CID 121137362
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea
CID 91966490
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide
CID 122320244
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
2-cyclopropyl-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetamide
CID 122320498
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide (CID 91969413) is 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide is CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide?
The InChIKey is IWWJMMHOXGSANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-22(2)15-14(20-16(24)12-4-3-5-13(18)10-12)11-19-17(21-15)23-6-8-25-9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,20,24).
What are the key properties of 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide?
3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide has a molecular weight of 361.83 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 91969413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).