[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone

C19H30N4O2 — CID 97416104

IUPAC[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H30N4O2/c1-13(2)16-10-17(18(24)23-11-14(3)9-15(4)12-23)21-19(20-16)22-5-7-25-8-6-22/h10,13-15H,5-9,11-12H2,1-4H3/t14-,15-/m1/s1
InChIKeyFAMCJENIMIGUQJ-HUUCEWRRSA-N
MW346.48 g/mol
LogP2.55
Rot. Bonds3

About [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 97416104) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID97416104
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H30N4O2/c1-13(2)16-10-17(18(24)23-11-14(3)9-15(4)12-23)21-19(20-16)22-5-7-25-8-6-22/h10,13-15H,5-9,11-12H2,1-4H3/t14-,15-/m1/s1
InChIKeyFAMCJENIMIGUQJ-HUUCEWRRSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416235
4-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1,4-oxazepane-6-carboxylic acid
CID 138383212
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 91798019
2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39248129
(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 87606299
[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324359
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone
CID 92625774
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830804
6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 1480862

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone (CID 97416104) is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone is CC(C)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)nc(N2CCOCC2)n1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is FAMCJENIMIGUQJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)16-10-17(18(24)23-11-14(3)9-15(4)12-23)21-19(20-16)22-5-7-25-8-6-22/h10,13-15H,5-9,11-12H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone?
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 97416104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).