2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone

C12H18N4O2 — CID 113224733

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
SMILESCOc1ccnc(NCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H18N4O2/c1-18-10-5-6-13-12(15-10)14-9-11(17)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,13,14,15)
InChIKeyASIWSOGPLOAHLN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.91
Rot. Bonds4

About 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone

2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 113224733) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
PubChem CID113224733
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
SMILESCOc1ccnc(NCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H18N4O2/c1-18-10-5-6-13-12(15-10)14-9-11(17)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,13,14,15)
InChIKeyASIWSOGPLOAHLN-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-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
CID 107545115
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 114600755
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
CID 115677837
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide
CID 60545434
4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 18167056
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone (CID 113224733) is 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone is COc1ccnc(NCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is ASIWSOGPLOAHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-10-5-6-13-12(15-10)14-9-11(17)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,13,14,15).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone?
2-[(4-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-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 113224733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).