5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine

C20H27N7O — CID 124975974

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C20H27N7O/c1-13-18(14(2)28-25-13)16-10-23-20(26(3)4)24-19(16)15-6-5-9-27(11-15)12-17-21-7-8-22-17/h7-8,10,15H,5-6,9,11-12H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyLBZMZWNNSIHKHL-HNNXBMFYSA-N
MW381.48 g/mol
LogP2.92
Rot. Bonds5

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 124975974) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID124975974
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C20H27N7O/c1-13-18(14(2)28-25-13)16-10-23-20(26(3)4)24-19(16)15-6-5-9-27(11-15)12-17-21-7-8-22-17/h7-8,10,15H,5-6,9,11-12H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyLBZMZWNNSIHKHL-HNNXBMFYSA-N
XLogP2.92
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine (CID 124975974) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine is Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2ncc[nH]2)C1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is LBZMZWNNSIHKHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-13-18(14(2)28-25-13)16-10-23-20(26(3)4)24-19(16)15-6-5-9-27(11-15)12-17-21-7-8-22-17/h7-8,10,15H,5-6,9,11-12H2,1-4H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 381.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 124975974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).