4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine

C19H30N4O2S — CID 126446346

IUPAC4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
SMILESCOCc1nc([C@@H]2CCOC2)cc(N2CCC(N3CCSCC3)CC2)n1
InChIInChI=1S/C19H30N4O2S/c1-24-14-18-20-17(15-4-9-25-13-15)12-19(21-18)23-5-2-16(3-6-23)22-7-10-26-11-8-22/h12,15-16H,2-11,13-14H2,1H3/t15-/m1/s1
InChIKeyYXVSOESNSWOTHD-OAHLLOKOSA-N
MW378.54 g/mol
LogP2.14
Rot. Bonds5

About 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine

4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine (PubChem CID 126446346) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
PubChem CID126446346
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
SMILESCOCc1nc([C@@H]2CCOC2)cc(N2CCC(N3CCSCC3)CC2)n1
InChIInChI=1S/C19H30N4O2S/c1-24-14-18-20-17(15-4-9-25-13-15)12-19(21-18)23-5-2-16(3-6-23)22-7-10-26-11-8-22/h12,15-16H,2-11,13-14H2,1H3/t15-/m1/s1
InChIKeyYXVSOESNSWOTHD-OAHLLOKOSA-N
XLogP2.14
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine (CID 126446346) is 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine is COCc1nc([C@@H]2CCOC2)cc(N2CCC(N3CCSCC3)CC2)n1.
What is the InChIKey of 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine?
The InChIKey is YXVSOESNSWOTHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-24-14-18-20-17(15-4-9-25-13-15)12-19(21-18)23-5-2-16(3-6-23)22-7-10-26-11-8-22/h12,15-16H,2-11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine?
4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine has a molecular weight of 378.54 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 126446346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).