(2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H21N5O2 — CID 118739931

IUPAC(2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ncccn3)CC2)CNCCO1
InChIInChI=1S/C14H21N5O2/c1-14(11-15-5-10-21-14)12(20)18-6-8-19(9-7-18)13-16-3-2-4-17-13/h2-4,15H,5-11H2,1H3
InChIKeyOBDHJYDCRWSGAY-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.50
Rot. Bonds2

About (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 118739931) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID118739931
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ncccn3)CC2)CNCCO1
InChIInChI=1S/C14H21N5O2/c1-14(11-15-5-10-21-14)12(20)18-6-8-19(9-7-18)13-16-3-2-4-17-13/h2-4,15H,5-11H2,1H3
InChIKeyOBDHJYDCRWSGAY-UHFFFAOYSA-N
XLogP-0.50
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
2-(4-morpholinyl)-N-2-pyrimidinylacetamide
CID 787681
2-Methoxy-1-(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3235149
Ethyl 2-[(4-pyrimidin-2-ylpiperazinyl)carbonylamino]acetate
CID 17174442
2-methoxy-N-(2-morpholinopyrimidin-5-yl)acetamide
CID 53164837
1-(2-Hydroxypropyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 53504637
2-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 53556600
1-Morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 75369968
2-methoxy-N-((4-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)acetamide
CID 76147902
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
2-Methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450999
4-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97451007

Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 118739931) is (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC1(C(=O)N2CCN(c3ncccn3)CC2)CNCCO1.
What is the InChIKey of (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OBDHJYDCRWSGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(11-15-5-10-21-14)12(20)18-6-8-19(9-7-18)13-16-3-2-4-17-13/h2-4,15H,5-11H2,1H3.
What are the key properties of (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 118739931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).