[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone

C19H30N4O2 — CID 97416235

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-13(2)16-10-17(18(24)23-11-14(3)25-15(4)12-23)21-19(20-16)22-8-6-5-7-9-22/h10,13-15H,5-9,11-12H2,1-4H3/t14-,15-/m1/s1
InChIKeyNGVMKFZXJYOVIJ-HUUCEWRRSA-N
MW346.48 g/mol
LogP2.84
Rot. Bonds3

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 97416235) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID97416235
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-13(2)16-10-17(18(24)23-11-14(3)25-15(4)12-23)21-19(20-16)22-8-6-5-7-9-22/h10,13-15H,5-9,11-12H2,1-4H3/t14-,15-/m1/s1
InChIKeyNGVMKFZXJYOVIJ-HUUCEWRRSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416104
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945584
4-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1,4-oxazepane-6-carboxylic acid
CID 138383212
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830560
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
(2,6-dimethylmorpholin-4-yl)-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 133409289
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945576
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 29056923
2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957707

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone (CID 97416235) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone is CC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nc(N2CCCCC2)n1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is NGVMKFZXJYOVIJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)16-10-17(18(24)23-11-14(3)25-15(4)12-23)21-19(20-16)22-8-6-5-7-9-22/h10,13-15H,5-9,11-12H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 97416235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).