(2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one

C18H30N4O — CID 96563196

IUPAC(2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(N[C@@H](C)C(=O)N2CCCCC2)nc(C)c1CC(C)C
InChIInChI=1S/C18H30N4O/c1-12(2)11-16-13(3)19-18(20-14(16)4)21-15(5)17(23)22-9-7-6-8-10-22/h12,15H,6-11H2,1-5H3,(H,19,20,21)/t15-/m0/s1
InChIKeyWOAPKAKUOFFMCQ-HNNXBMFYSA-N
MW318.47 g/mol
LogP3.10
Rot. Bonds5

About (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one

(2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 96563196) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID96563196
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(N[C@@H](C)C(=O)N2CCCCC2)nc(C)c1CC(C)C
InChIInChI=1S/C18H30N4O/c1-12(2)11-16-13(3)19-18(20-14(16)4)21-15(5)17(23)22-9-7-6-8-10-22/h12,15H,6-11H2,1-5H3,(H,19,20,21)/t15-/m0/s1
InChIKeyWOAPKAKUOFFMCQ-HNNXBMFYSA-N
XLogP3.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 96563196) is (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one is Cc1nc(N[C@@H](C)C(=O)N2CCCCC2)nc(C)c1CC(C)C.
What is the InChIKey of (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is WOAPKAKUOFFMCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-12(2)11-16-13(3)19-18(20-14(16)4)21-15(5)17(23)22-9-7-6-8-10-22/h12,15H,6-11H2,1-5H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
(2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 318.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 96563196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).