morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone

C15H23N5O3 — CID 109252034

IUPACmorpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCCN2CCOCC2)nc1)N1CCOCC1
InChIInChI=1S/C15H23N5O3/c21-14(20-5-9-23-10-6-20)13-11-17-15(18-12-13)16-1-2-19-3-7-22-8-4-19/h11-12H,1-10H2,(H,16,17,18)
InChIKeyCGNLAOITYLZVDK-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.31
Rot. Bonds5

About morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone

morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone (PubChem CID 109252034) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
PubChem CID109252034
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Namemorpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCCN2CCOCC2)nc1)N1CCOCC1
InChIInChI=1S/C15H23N5O3/c21-14(20-5-9-23-10-6-20)13-11-17-15(18-12-13)16-1-2-19-3-7-22-8-4-19/h11-12H,1-10H2,(H,16,17,18)
InChIKeyCGNLAOITYLZVDK-UHFFFAOYSA-N
XLogP-0.31
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylpiperazin-1-yl)-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109253173
[2-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109251157
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253190
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253198
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109253182
N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253299
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181785
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253062
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182540
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone (CID 109252034) is morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCCN2CCOCC2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone?
The InChIKey is CGNLAOITYLZVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c21-14(20-5-9-23-10-6-20)13-11-17-15(18-12-13)16-1-2-19-3-7-22-8-4-19/h11-12H,1-10H2,(H,16,17,18).
What are the key properties of morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone?
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109252034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).