N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide

C18H23N5O2 — CID 91969402

IUPACN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1
InChIInChI=1S/C18H23N5O2/c1-13-4-6-14(7-5-13)17(24)20-15-12-19-18(21-16(15)22(2)3)23-8-10-25-11-9-23/h4-7,12H,8-11H2,1-3H3,(H,20,24)
InChIKeyZAWPCZLBTSRGRS-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.94
Rot. Bonds4

About N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide (PubChem CID 91969402) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
PubChem CID91969402
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1
InChIInChI=1S/C18H23N5O2/c1-13-4-6-14(7-5-13)17(24)20-15-12-19-18(21-16(15)22(2)3)23-8-10-25-11-9-23/h4-7,12H,8-11H2,1-3H3,(H,20,24)
InChIKeyZAWPCZLBTSRGRS-UHFFFAOYSA-N
XLogP1.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
CID 91969413
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
CID 91969406
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
CID 121137362
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]pyrazine-2-carboxamide
CID 121137369
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea
CID 91966490
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
2-cyclopropyl-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetamide
CID 122320498
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122320418

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide?
The IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide (CID 91969402) is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide?
The InChIKey is ZAWPCZLBTSRGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-4-6-14(7-5-13)17(24)20-15-12-19-18(21-16(15)22(2)3)23-8-10-25-11-9-23/h4-7,12H,8-11H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide?
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide has a molecular weight of 341.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide is sourced from PubChem (CID 91969402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).