5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine

C20H26N6O — CID 145480219

IUPAC5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine
SMILES[H]/N=C/c1c(NC2CCNCC2)nc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C20H26N6O/c21-14-17-19(23-16-6-8-22-9-7-16)24-18(15-4-2-1-3-5-15)25-20(17)26-10-12-27-13-11-26/h1-5,14,16,21-22H,6-13H2,(H,23,24,25)/b21-14+
InChIKeyLXDUDMGBNKWTNQ-KGENOOAVSA-N
MW366.47 g/mol
LogP2.14
Rot. Bonds5

About 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine

5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine (PubChem CID 145480219) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine
PubChem CID145480219
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine
SMILES[H]/N=C/c1c(NC2CCNCC2)nc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C20H26N6O/c21-14-17-19(23-16-6-8-22-9-7-16)24-18(15-4-2-1-3-5-15)25-20(17)26-10-12-27-13-11-26/h1-5,14,16,21-22H,6-13H2,(H,23,24,25)/b21-14+
InChIKeyLXDUDMGBNKWTNQ-KGENOOAVSA-N
XLogP2.14
TPSA86.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine
CID 145480232
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
[3-[5-methanimidoyl-6-[(1-methylpiperidin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol
CID 130239218
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol
CID 90426358
3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135105344
3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
CID 46225280
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191
5-methanimidoyl-3-methyl-6-(oxan-4-ylamino)-2-[(4-pyridin-2-ylphenyl)methyl]pyrimidin-4-one
CID 137298294
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine (CID 145480219) is 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine is [H]/N=C/c1c(NC2CCNCC2)nc(-c2ccccc2)nc1N1CCOCC1.
What is the InChIKey of 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is LXDUDMGBNKWTNQ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H26N6O/c21-14-17-19(23-16-6-8-22-9-7-16)24-18(15-4-2-1-3-5-15)25-20(17)26-10-12-27-13-11-26/h1-5,14,16,21-22H,6-13H2,(H,23,24,25)/b21-14+.
What are the key properties of 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine?
5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 145480219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).