[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone

C19H31N5O2 — CID 92625774

IUPAC[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(CCN(C)C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O2/c1-15-14-17(21-19(20-15)24-10-12-26-13-11-24)18(25)23-8-5-16(6-9-23)4-7-22(2)3/h14,16H,4-13H2,1-3H3
InChIKeyWIOGTICRUBWYOU-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.43
Rot. Bonds5

About [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone

[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone (PubChem CID 92625774) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone
PubChem CID92625774
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(CCN(C)C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O2/c1-15-14-17(21-19(20-15)24-10-12-26-13-11-24)18(25)23-8-5-16(6-9-23)4-7-22(2)3/h14,16H,4-13H2,1-3H3
InChIKeyWIOGTICRUBWYOU-UHFFFAOYSA-N
XLogP1.43
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone with MolForge

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Related Compounds

[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92613530
[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324359
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
tert-butyl 4-(6-methyl-2-morpholin-4-ylpyrimidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 95752738
[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324356
6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 1480862
N-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95756562
[2-(diethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 71688921
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95744380
N-cyclohexyl-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731255

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone (CID 92625774) is [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCC(CCN(C)C)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone?
The InChIKey is WIOGTICRUBWYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-14-17(21-19(20-15)24-10-12-26-13-11-24)18(25)23-8-5-16(6-9-23)4-7-22(2)3/h14,16H,4-13H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone?
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone has a molecular weight of 361.49 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 92625774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).