[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone

C19H24N4O2 — CID 97156064

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-2-20-19-21-11-16(12-22-19)18(24)23-10-6-7-15(13-23)14-25-17-8-4-3-5-9-17/h3-5,8-9,11-12,15H,2,6-7,10,13-14H2,1H3,(H,20,21,22)/t15-/m1/s1
InChIKeyHRDOVSCZJCQQSJ-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.84
Rot. Bonds6

About [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 97156064) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID97156064
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-2-20-19-21-11-16(12-22-19)18(24)23-10-6-7-15(13-23)14-25-17-8-4-3-5-9-17/h3-5,8-9,11-12,15H,2,6-7,10,13-14H2,1H3,(H,20,21,22)/t15-/m1/s1
InChIKeyHRDOVSCZJCQQSJ-OAHLLOKOSA-N
XLogP2.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

3-[1-[2-(ethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 72856458
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
CID 72874396
(3-chloro-4-ethoxy-5-methoxyphenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971306
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-5-yl]methanone
CID 51872878

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone (CID 97156064) is [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone is CCNc1ncc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is HRDOVSCZJCQQSJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-20-19-21-11-16(12-22-19)18(24)23-10-6-7-15(13-23)14-25-17-8-4-3-5-9-17/h3-5,8-9,11-12,15H,2,6-7,10,13-14H2,1H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97156064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).