N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

C21H28N6O2 — CID 109301579

IUPACN-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C21H28N6O2/c28-20(22-8-9-25-14-16-29-17-15-25)19-6-7-23-21(24-19)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-7H,8-17H2,(H,22,28)
InChIKeyUCTRPYNZTQDBEJ-UHFFFAOYSA-N
MW396.50 g/mol
LogP0.87
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109301579) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109301579
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C21H28N6O2/c28-20(22-8-9-25-14-16-29-17-15-25)19-6-7-23-21(24-19)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-7H,8-17H2,(H,22,28)
InChIKeyUCTRPYNZTQDBEJ-UHFFFAOYSA-N
XLogP0.87
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299826
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299498
N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109307879
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300337
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301626
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692504
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109301579) is N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is O=C(NCCN1CCOCC1)c1ccnc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is UCTRPYNZTQDBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c28-20(22-8-9-25-14-16-29-17-15-25)19-6-7-23-21(24-19)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-7H,8-17H2,(H,22,28).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).