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

C18H23N5O3 — CID 91969406

IUPACN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1
InChIInChI=1S/C18H23N5O3/c1-22(2)16-15(12-19-18(21-16)23-7-9-26-10-8-23)20-17(24)13-5-4-6-14(11-13)25-3/h4-6,11-12H,7-10H2,1-3H3,(H,20,24)
InChIKeyQQEZDVMIRXDGNA-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.64
Rot. Bonds5

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

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide (PubChem CID 91969406) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
PubChem CID91969406
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1
InChIInChI=1S/C18H23N5O3/c1-22(2)16-15(12-19-18(21-16)23-7-9-26-10-8-23)20-17(24)13-5-4-6-14(11-13)25-3/h4-6,11-12H,7-10H2,1-3H3,(H,20,24)
InChIKeyQQEZDVMIRXDGNA-UHFFFAOYSA-N
XLogP1.64
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-4-methylbenzamide
CID 91969402
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]pyrazine-2-carboxamide
CID 121137369
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122320418
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122320623
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
CID 121137362
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea
CID 91966490
N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3-methoxybenzamide
CID 137377064

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide (CID 91969406) is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide?
The InChIKey is QQEZDVMIRXDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22(2)16-15(12-19-18(21-16)23-7-9-26-10-8-23)20-17(24)13-5-4-6-14(11-13)25-3/h4-6,11-12H,7-10H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide?
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 91969406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).