N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide

C26H30N4O3 — CID 42670198

IUPACN-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C26H30N4O3/c1-19(2)21-9-6-10-22(17-21)33-26-23(18-28-24(29-26)20-7-4-3-5-8-20)25(31)27-11-12-30-13-15-32-16-14-30/h3-10,17-19H,11-16H2,1-2H3,(H,27,31)
InChIKeyDVISJQYJGMKBQN-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.12
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide

N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide (PubChem CID 42670198) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide
PubChem CID42670198
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C26H30N4O3/c1-19(2)21-9-6-10-22(17-21)33-26-23(18-28-24(29-26)20-7-4-3-5-8-20)25(31)27-11-12-30-13-15-32-16-14-30/h3-10,17-19H,11-16H2,1-2H3,(H,27,31)
InChIKeyDVISJQYJGMKBQN-UHFFFAOYSA-N
XLogP4.12
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
4-[ethyl(methyl)amino]-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-5-carboxamide
CID 42673443
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
2-methoxy-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110761441
4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 42821004
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109253107
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide (CID 42670198) is N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide is CC(C)c1cccc(Oc2nc(-c3ccccc3)ncc2C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide?
The InChIKey is DVISJQYJGMKBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-19(2)21-9-6-10-22(17-21)33-26-23(18-28-24(29-26)20-7-4-3-5-8-20)25(31)27-11-12-30-13-15-32-16-14-30/h3-10,17-19H,11-16H2,1-2H3,(H,27,31).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide?
N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).