2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone

C12H18N4O2 — CID 114600755

IUPAC2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
SMILESCOc1cnc(NCC(=O)N2CCCCC2)nc1
InChIInChI=1S/C12H18N4O2/c1-18-10-7-13-12(14-8-10)15-9-11(17)16-5-3-2-4-6-16/h7-8H,2-6,9H2,1H3,(H,13,14,15)
InChIKeyMIGIHUVZRMOJAR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.91
Rot. Bonds4

About 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone

2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 114600755) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
PubChem CID114600755
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
SMILESCOc1cnc(NCC(=O)N2CCCCC2)nc1
InChIInChI=1S/C12H18N4O2/c1-18-10-7-13-12(14-8-10)15-9-11(17)16-5-3-2-4-6-16/h7-8H,2-6,9H2,1H3,(H,13,14,15)
InChIKeyMIGIHUVZRMOJAR-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
CID 115677837
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
CID 62401443
1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
CID 166977898
2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 137341603
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566
[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249905
3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278290

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone (CID 114600755) is 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone is COc1cnc(NCC(=O)N2CCCCC2)nc1.
What is the InChIKey of 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is MIGIHUVZRMOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-10-7-13-12(14-8-10)15-9-11(17)16-5-3-2-4-6-16/h7-8H,2-6,9H2,1H3,(H,13,14,15).
What are the key properties of 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone?
2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 114600755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).