2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide

C18H21ClFN5O — CID 91969367

IUPAC2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H21ClFN5O/c1-24(2)16-14(11-21-18(23-16)25-9-4-3-5-10-25)22-17(26)15-12(19)7-6-8-13(15)20/h6-8,11H,3-5,9-10H2,1-2H3,(H,22,26)
InChIKeyZYZRIOPDAHILFW-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.58
Rot. Bonds4

About 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide

2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide (PubChem CID 91969367) has the molecular formula C18H21ClFN5O and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
PubChem CID91969367
Molecular FormulaC18H21ClFN5O
Molecular Weight377.85 g/mol
Exact Mass377.14
IUPAC Name2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H21ClFN5O/c1-24(2)16-14(11-21-18(23-16)25-9-4-3-5-10-25)22-17(26)15-12(19)7-6-8-13(15)20/h6-8,11H,3-5,9-10H2,1-2H3,(H,22,26)
InChIKeyZYZRIOPDAHILFW-UHFFFAOYSA-N
XLogP3.58
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
CID 122320121
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103
(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide
CID 122320289
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide
CID 122320200
3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide
CID 122320244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide (CID 91969367) is 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide is CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide?
The InChIKey is ZYZRIOPDAHILFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN5O/c1-24(2)16-14(11-21-18(23-16)25-9-4-3-5-10-25)22-17(26)15-12(19)7-6-8-13(15)20/h6-8,11H,3-5,9-10H2,1-2H3,(H,22,26).
What are the key properties of 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide?
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide has a molecular weight of 377.85 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide is sourced from PubChem (CID 91969367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).