1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one

C24H27N5O — CID 127252050

IUPAC1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one
SMILESNc1ncc(-c2ccc(C3CCCCN3C(=O)CCCc3ccccc3)cn2)cn1
InChIInChI=1S/C24H27N5O/c25-24-27-16-20(17-28-24)21-13-12-19(15-26-21)22-10-4-5-14-29(22)23(30)11-6-9-18-7-2-1-3-8-18/h1-3,7-8,12-13,15-17,22H,4-6,9-11,14H2,(H2,25,27,28)
InChIKeySRIQYCISBYUWSJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.20
Rot. Bonds6

About 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one

1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 127252050) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID127252050
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one
SMILESNc1ncc(-c2ccc(C3CCCCN3C(=O)CCCc3ccccc3)cn2)cn1
InChIInChI=1S/C24H27N5O/c25-24-27-16-20(17-28-24)21-13-12-19(15-26-21)22-10-4-5-14-29(22)23(30)11-6-9-18-7-2-1-3-8-18/h1-3,7-8,12-13,15-17,22H,4-6,9-11,14H2,(H2,25,27,28)
InChIKeySRIQYCISBYUWSJ-UHFFFAOYSA-N
XLogP4.20
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one with MolForge

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Related Compounds

2-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124966469
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 86951408
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110266816
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
4-phenyl-1-[2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 15080758
4-phenyl-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 95838014
1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 124961135
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305
4-phenyl-1-[(2S)-2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 99768083
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95836937

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one (CID 127252050) is 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one is Nc1ncc(-c2ccc(C3CCCCN3C(=O)CCCc3ccccc3)cn2)cn1.
What is the InChIKey of 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is SRIQYCISBYUWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c25-24-27-16-20(17-28-24)21-13-12-19(15-26-21)22-10-4-5-14-29(22)23(30)11-6-9-18-7-2-1-3-8-18/h1-3,7-8,12-13,15-17,22H,4-6,9-11,14H2,(H2,25,27,28).
What are the key properties of 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one?
1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 401.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 127252050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).