N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

C20H27N5O2 — CID 109253107

IUPACN-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(Nc2ncc(C(=O)NCCN3CCOCC3)cn2)cc1
InChIInChI=1S/C20H27N5O2/c1-15(2)16-3-5-18(6-4-16)24-20-22-13-17(14-23-20)19(26)21-7-8-25-9-11-27-12-10-25/h3-6,13-15H,7-12H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyWESYBRCLSGCBJB-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.41
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109253107) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109253107
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(Nc2ncc(C(=O)NCCN3CCOCC3)cn2)cc1
InChIInChI=1S/C20H27N5O2/c1-15(2)16-3-5-18(6-4-16)24-20-22-13-17(14-23-20)19(26)21-7-8-25-9-11-27-12-10-25/h3-6,13-15H,7-12H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyWESYBRCLSGCBJB-UHFFFAOYSA-N
XLogP2.41
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109301644
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253062
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109253182
4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59686558

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109253107) is N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is CC(C)c1ccc(Nc2ncc(C(=O)NCCN3CCOCC3)cn2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is WESYBRCLSGCBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15(2)16-3-5-18(6-4-16)24-20-22-13-17(14-23-20)19(26)21-7-8-25-9-11-27-12-10-25/h3-6,13-15H,7-12H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).