3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one

C12H18N4O2 — CID 110475203

IUPAC3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1ncc(CCC(=O)N2CCNCC2)cn1
InChIInChI=1S/C12H18N4O2/c1-18-12-14-8-10(9-15-12)2-3-11(17)16-6-4-13-5-7-16/h8-9,13H,2-7H2,1H3
InChIKeyYXRSBRIHKKZYRR-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.15
Rot. Bonds4

About 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one

3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 110475203) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID110475203
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1ncc(CCC(=O)N2CCNCC2)cn1
InChIInChI=1S/C12H18N4O2/c1-18-12-14-8-10(9-15-12)2-3-11(17)16-6-4-13-5-7-16/h8-9,13H,2-7H2,1H3
InChIKeyYXRSBRIHKKZYRR-UHFFFAOYSA-N
XLogP-0.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5H,6H,7H,8H-pyrido(2,3-d)pyrimidin-7-one
CID 84021243
US11077113, Example 6
CID 162533416
1-{2-[(5-Ethyl-2-methylpyrimidin-4-yl)amino]ethyl}piperidine-3-carboxamide
CID 50958308
3-[(2-Methoxypyrimidin-5-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one
CID 56715748
N~3~-[(2-amino-5-pyrimidinyl)methyl]-N~1~,N~1~,N~3~-trimethyl-1,3-piperidinedicarboxamide
CID 72902403
4-(4-Acetylpiperazin-1-yl)-5-ethylpyrimidin-2-amine
CID 72903655
3-[1-(5-Ethylpyrimidin-2-YL)piperidin-3-YL]propanamide
CID 72927654
N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide
CID 162657491
6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one
CID 78225824
5,6-Dihydropyrido[2,3-d]pyrimidin-7(8h)-one
CID 21976402
3-(Pyrimidin-5-yl)propanamide
CID 91363418
1-Methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56752109

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one (CID 110475203) is 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one is COc1ncc(CCC(=O)N2CCNCC2)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is YXRSBRIHKKZYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-12-14-8-10(9-15-12)2-3-11(17)16-6-4-13-5-7-16/h8-9,13H,2-7H2,1H3.
What are the key properties of 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one?
3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 250.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 110475203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).