1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

C19H26N6O — CID 125000717

IUPAC1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCNc1cc(Nc2cc(CCC3CCN(C(C)=O)CC3)ccn2)ncn1
InChIInChI=1S/C19H26N6O/c1-14(26)25-9-6-15(7-10-25)3-4-16-5-8-21-18(11-16)24-19-12-17(20-2)22-13-23-19/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyRXTFYIYZEAASSA-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.85
Rot. Bonds6

About 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 125000717) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
PubChem CID125000717
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCNc1cc(Nc2cc(CCC3CCN(C(C)=O)CC3)ccn2)ncn1
InChIInChI=1S/C19H26N6O/c1-14(26)25-9-6-15(7-10-25)3-4-16-5-8-21-18(11-16)24-19-12-17(20-2)22-13-23-19/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyRXTFYIYZEAASSA-UHFFFAOYSA-N
XLogP2.85
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124967872
2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124976357
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 124975186
2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124980911
N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 125009624
N-[4-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 124950139
N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide
CID 124939994
1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62463955
2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 95842851
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
CID 66509368

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (CID 125000717) is 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is CNc1cc(Nc2cc(CCC3CCN(C(C)=O)CC3)ccn2)ncn1.
What is the InChIKey of 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is RXTFYIYZEAASSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14(26)25-9-6-15(7-10-25)3-4-16-5-8-21-18(11-16)24-19-12-17(20-2)22-13-23-19/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 354.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125000717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).