N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine

C17H20N6O — CID 77081060

IUPACN-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine
SMILESCc1nnc(CN(C)Cc2cnc(NCc3ccccc3)nc2)o1
InChIInChI=1S/C17H20N6O/c1-13-21-22-16(24-13)12-23(2)11-15-9-19-17(20-10-15)18-8-14-6-4-3-5-7-14/h3-7,9-10H,8,11-12H2,1-2H3,(H,18,19,20)
InChIKeyLYGSSQXZBLPIHQ-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.41
Rot. Bonds7

About N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine

N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine (PubChem CID 77081060) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine
PubChem CID77081060
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine
SMILESCc1nnc(CN(C)Cc2cnc(NCc3ccccc3)nc2)o1
InChIInChI=1S/C17H20N6O/c1-13-21-22-16(24-13)12-23(2)11-15-9-19-17(20-10-15)18-8-14-6-4-3-5-7-14/h3-7,9-10H,8,11-12H2,1-2H3,(H,18,19,20)
InChIKeyLYGSSQXZBLPIHQ-UHFFFAOYSA-N
XLogP2.41
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

US10617680, Example 312
CID 135355396
US10617680, Example 309
CID 135355485
N-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine
CID 172446713
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-piperidinamine
CID 31192252
5-ethyl-2-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}pyridine
CID 50966632
3-({Ethyl[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]amino}methyl)pyridin-2-amine
CID 77081038
(2S)-2-[[2-(benzylamino)pyrimidin-5-yl]methyl-methylamino]-N,N-dimethylpropanamide
CID 100062425
3-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]benzamide
CID 121501735
6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 155339447
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 75375186
(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 97219402
(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 97219403

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine (CID 77081060) is N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine is Cc1nnc(CN(C)Cc2cnc(NCc3ccccc3)nc2)o1.
What is the InChIKey of N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is LYGSSQXZBLPIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-21-22-16(24-13)12-23(2)11-15-9-19-17(20-10-15)18-8-14-6-4-3-5-7-14/h3-7,9-10H,8,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine?
N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 324.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 77081060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).