2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine

C18H30N4O — CID 95219866

IUPAC2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine
SMILESCCC1(CC)CN(c2cc([C@H]3CCCNC3)nc(C)n2)CCO1
InChIInChI=1S/C18H30N4O/c1-4-18(5-2)13-22(9-10-23-18)17-11-16(20-14(3)21-17)15-7-6-8-19-12-15/h11,15,19H,4-10,12-13H2,1-3H3/t15-/m0/s1
InChIKeyUDTXFJDFVSOSOF-HNNXBMFYSA-N
MW318.47 g/mol
LogP2.65
Rot. Bonds4

About 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine

2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 95219866) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID95219866
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine
SMILESCCC1(CC)CN(c2cc([C@H]3CCCNC3)nc(C)n2)CCO1
InChIInChI=1S/C18H30N4O/c1-4-18(5-2)13-22(9-10-23-18)17-11-16(20-14(3)21-17)15-7-6-8-19-12-15/h11,15,19H,4-10,12-13H2,1-3H3/t15-/m0/s1
InChIKeyUDTXFJDFVSOSOF-HNNXBMFYSA-N
XLogP2.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminocyclobutyl)-6-(2,2-diethylmorpholin-4-yl)-N,N-dimethylpyrimidin-2-amine
CID 91771197
2-(dimethylamino)-8-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 56715294
2-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 56711438
2-[[4-(2,2-diethylmorpholin-4-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126436985
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
CID 56882461
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 125015515
1-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidin-4-yl]azepane
CID 56704649
3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
CID 110258144

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine (CID 95219866) is 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine is CCC1(CC)CN(c2cc([C@H]3CCCNC3)nc(C)n2)CCO1.
What is the InChIKey of 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is UDTXFJDFVSOSOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-18(5-2)13-22(9-10-23-18)17-11-16(20-14(3)21-17)15-7-6-8-19-12-15/h11,15,19H,4-10,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine?
2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 318.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 95219866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).