5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine

C17H22N4O — CID 138994630

IUPAC5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
SMILESCc1cnc(NC(CN2CCOCC2)c2ccccc2)nc1
InChIInChI=1S/C17H22N4O/c1-14-11-18-17(19-12-14)20-16(15-5-3-2-4-6-15)13-21-7-9-22-10-8-21/h2-6,11-12,16H,7-10,13H2,1H3,(H,18,19,20)
InChIKeyXDMARVNTHRNZKG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds5

About 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine

5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine (PubChem CID 138994630) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
PubChem CID138994630
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
SMILESCc1cnc(NC(CN2CCOCC2)c2ccccc2)nc1
InChIInChI=1S/C17H22N4O/c1-14-11-18-17(19-12-14)20-16(15-5-3-2-4-6-15)13-21-7-9-22-10-8-21/h2-6,11-12,16H,7-10,13H2,1H3,(H,18,19,20)
InChIKeyXDMARVNTHRNZKG-UHFFFAOYSA-N
XLogP2.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 25316013
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 24508581
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 97333489
N-(2-morpholin-4-yl-1-phenylethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488759
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
CID 55431920
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine (CID 138994630) is 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine is Cc1cnc(NC(CN2CCOCC2)c2ccccc2)nc1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine?
The InChIKey is XDMARVNTHRNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-11-18-17(19-12-14)20-16(15-5-3-2-4-6-15)13-21-7-9-22-10-8-21/h2-6,11-12,16H,7-10,13H2,1H3,(H,18,19,20).
What are the key properties of 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine?
5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 138994630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).