(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone

C10H14N4O — CID 82507134

IUPAC(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCNCC2)cn1
InChIInChI=1S/C10H14N4O/c1-8-12-6-9(7-13-8)10(15)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyDOIQKUYIKGXOPU-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.17
Rot. Bonds1

About (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone

(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone (PubChem CID 82507134) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
PubChem CID82507134
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCNCC2)cn1
InChIInChI=1S/C10H14N4O/c1-8-12-6-9(7-13-8)10(15)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyDOIQKUYIKGXOPU-UHFFFAOYSA-N
XLogP-0.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone
CID 58674992
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
1,3-oxazol-2-yl(piperazin-1-yl)methanone
CID 83617555
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone (CID 82507134) is (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone is Cc1ncc(C(=O)N2CCNCC2)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone?
The InChIKey is DOIQKUYIKGXOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8-12-6-9(7-13-8)10(15)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3.
What are the key properties of (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone?
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone has a molecular weight of 206.25 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82507134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).