N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine

C16H20N4O — CID 170120856

IUPACN-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCNc1ncc(-c2cc(C)cc(N3CCOCC3)c2)cn1
InChIInChI=1S/C16H20N4O/c1-12-7-13(14-10-18-16(17-2)19-11-14)9-15(8-12)20-3-5-21-6-4-20/h7-11H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyVEMXVZAXKOLSRM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine

N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 170120856) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID170120856
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCNc1ncc(-c2cc(C)cc(N3CCOCC3)c2)cn1
InChIInChI=1S/C16H20N4O/c1-12-7-13(14-10-18-16(17-2)19-11-14)9-15(8-12)20-3-5-21-6-4-20/h7-11H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyVEMXVZAXKOLSRM-UHFFFAOYSA-N
XLogP2.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 134605229
4-(3-methyl-5-morpholin-4-ylphenyl)morpholin-3-one
CID 59817776
N-cyclopropyl-5-[3-morpholin-4-yl-5-(oxolan-3-ylsulfonyl)phenyl]pyrimidin-2-amine
CID 146177394
N-methyl-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 175634186
N,4-dimethyl-6-morpholin-4-ylpyridin-2-amine;ethane
CID 177153014
4-(5,7-dimethylimidazo[1,2-a]pyridin-3-yl)morpholine
CID 3531216
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 170871369
5-[3-(4-isocyanophenyl)sulfonyl-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 159472513
5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine
CID 59198376
8-methoxy-N-methyl-5-morpholin-4-ylquinazolin-2-amine
CID 23157783

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 170120856) is N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine is CNc1ncc(-c2cc(C)cc(N3CCOCC3)c2)cn1.
What is the InChIKey of N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is VEMXVZAXKOLSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-7-13(14-10-18-16(17-2)19-11-14)9-15(8-12)20-3-5-21-6-4-20/h7-11H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 170120856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).