[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C20H30N4O2 — CID 95897837

IUPAC[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3CC3(C)C)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H30N4O2/c1-14-21-17(12-18(22-14)23-8-10-26-11-9-23)15-4-6-24(7-5-15)19(25)16-13-20(16,2)3/h12,15-16H,4-11,13H2,1-3H3/t16-/m1/s1
InChIKeySPEQIWZMCTWGQZ-MRXNPFEDSA-N
MW358.49 g/mol
LogP2.37
Rot. Bonds3

About [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 95897837) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID95897837
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3CC3(C)C)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H30N4O2/c1-14-21-17(12-18(22-14)23-8-10-26-11-9-23)15-4-6-24(7-5-15)19(25)16-13-20(16,2)3/h12,15-16H,4-11,13H2,1-3H3/t16-/m1/s1
InChIKeySPEQIWZMCTWGQZ-MRXNPFEDSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

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N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
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2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
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CID 70780123
(5-methyl-1H-imidazol-4-yl)-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
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4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
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[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 95897837) is [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)[C@H]3CC3(C)C)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is SPEQIWZMCTWGQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-21-17(12-18(22-14)23-8-10-26-11-9-23)15-4-6-24(7-5-15)19(25)16-13-20(16,2)3/h12,15-16H,4-11,13H2,1-3H3/t16-/m1/s1.
What are the key properties of [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95897837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).