N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C18H23N5O2 — CID 109301415

IUPACN-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H23N5O2/c24-17(21-14-15-4-2-1-3-5-15)16-6-7-19-18(22-16)20-8-9-23-10-12-25-13-11-23/h1-7H,8-14H2,(H,21,24)(H,19,20,22)
InChIKeyCEWLERGKZSPCJF-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.15
Rot. Bonds7

About N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109301415) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109301415
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H23N5O2/c24-17(21-14-15-4-2-1-3-5-15)16-6-7-19-18(22-16)20-8-9-23-10-12-25-13-11-23/h1-7H,8-14H2,(H,21,24)(H,19,20,22)
InChIKeyCEWLERGKZSPCJF-UHFFFAOYSA-N
XLogP1.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301427
N-benzyl-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277602
N-(2-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301487
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301473
2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301626
4-[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109301412
[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109301449
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109301415) is N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(NCCN2CCOCC2)n1.
What is the InChIKey of N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is CEWLERGKZSPCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(21-14-15-4-2-1-3-5-15)16-6-7-19-18(22-16)20-8-9-23-10-12-25-13-11-23/h1-7H,8-14H2,(H,21,24)(H,19,20,22).
What are the key properties of N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).