N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine

C21H25N5O — CID 56711716

IUPACN,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(C)Cc2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C21H25N5O/c1-15-23-19(17-9-6-10-22-13-17)12-21(24-15)26(2)14-18-11-20(27-25-18)16-7-4-3-5-8-16/h3-5,7-8,11-12,17,22H,6,9-10,13-14H2,1-2H3
InChIKeyLPBKBWHVAKOQCG-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.54
Rot. Bonds5

About N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine

N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine (PubChem CID 56711716) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
PubChem CID56711716
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(C)Cc2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C21H25N5O/c1-15-23-19(17-9-6-10-22-13-17)12-21(24-15)26(2)14-18-11-20(27-25-18)16-7-4-3-5-8-16/h3-5,7-8,11-12,17,22H,6,9-10,13-14H2,1-2H3
InChIKeyLPBKBWHVAKOQCG-UHFFFAOYSA-N
XLogP3.54
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 63638521
N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95204089
4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266504
N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60805614
N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 56714740
2-(2-methyl-5-phenylfuran-3-yl)-4-piperidin-3-yl-1H-pyrimidin-6-one
CID 135860468
N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 162916581
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 120966966
N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126432434

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine (CID 56711716) is N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine is Cc1nc(C2CCCNC2)cc(N(C)Cc2cc(-c3ccccc3)on2)n1.
What is the InChIKey of N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is LPBKBWHVAKOQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-23-19(17-9-6-10-22-13-17)12-21(24-15)26(2)14-18-11-20(27-25-18)16-7-4-3-5-8-16/h3-5,7-8,11-12,17,22H,6,9-10,13-14H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine?
N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56711716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).