N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C20H28N6O — CID 112857585

IUPACN-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(N2CCN(c3cc(NCCN4CCOCC4)ncn3)CC2)cc1
InChIInChI=1S/C20H28N6O/c1-2-4-18(5-3-1)25-8-10-26(11-9-25)20-16-19(22-17-23-20)21-6-7-24-12-14-27-15-13-24/h1-5,16-17H,6-15H2,(H,21,22,23)
InChIKeyFAEMEKKDFSNOKF-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.55
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112857585) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112857585
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(N2CCN(c3cc(NCCN4CCOCC4)ncn3)CC2)cc1
InChIInChI=1S/C20H28N6O/c1-2-4-18(5-3-1)25-8-10-26(11-9-25)20-16-19(22-17-23-20)21-6-7-24-12-14-27-15-13-24/h1-5,16-17H,6-15H2,(H,21,22,23)
InChIKeyFAEMEKKDFSNOKF-UHFFFAOYSA-N
XLogP1.55
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192684
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870
[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109168056
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 163740126
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112887479

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112857585) is N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is c1ccc(N2CCN(c3cc(NCCN4CCOCC4)ncn3)CC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is FAEMEKKDFSNOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-2-4-18(5-3-1)25-8-10-26(11-9-25)20-16-19(22-17-23-20)21-6-7-24-12-14-27-15-13-24/h1-5,16-17H,6-15H2,(H,21,22,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 368.49 g/mol, XLogP of 1.55, 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)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112857585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).