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

C16H25N5O2 — CID 56821485

IUPAC2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccnc(NC2CCN(CC(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-23-14-4-7-17-16(19-14)18-13-5-10-20(11-6-13)12-15(22)21-8-2-3-9-21/h4,7,13H,2-3,5-6,8-12H2,1H3,(H,17,18,19)
InChIKeyPXSMDLGKBCOSKY-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.98
Rot. Bonds5

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

2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 56821485) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID56821485
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccnc(NC2CCN(CC(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-23-14-4-7-17-16(19-14)18-13-5-10-20(11-6-13)12-15(22)21-8-2-3-9-21/h4,7,13H,2-3,5-6,8-12H2,1H3,(H,17,18,19)
InChIKeyPXSMDLGKBCOSKY-UHFFFAOYSA-N
XLogP0.98
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 47073311
1-[2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 53511842
N-[rel-(3R,4S)-1-(4-methoxy-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72878117
7-Isopropyl-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72904636
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
CID 136548989
4-methoxy-N-(piperidin-4-yl)pyrimidin-2-amine
CID 43607806
N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 53185888
(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 39830961
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528
N-[rel-(3R,4S)-4-cyclopropyl-1-(4-methoxy-2-pyrimidinyl)-3-pyrrolidinyl]-2-methoxy-2-methylpropanamide hydrochloride
CID 72941060

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 56821485) is 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is COc1ccnc(NC2CCN(CC(=O)N3CCCC3)CC2)n1.
What is the InChIKey of 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is PXSMDLGKBCOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-23-14-4-7-17-16(19-14)18-13-5-10-20(11-6-13)12-15(22)21-8-2-3-9-21/h4,7,13H,2-3,5-6,8-12H2,1H3,(H,17,18,19).
What are the key properties of 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 319.41 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 56821485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).