1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone

C23H25N5O — CID 92618153

IUPAC1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
SMILESCc1cc(-c2cnc(N)nc2)cc(C2CCN(C(=O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H25N5O/c1-16-11-19(20-14-25-23(24)26-15-20)13-21(27-16)18-7-9-28(10-8-18)22(29)12-17-5-3-2-4-6-17/h2-6,11,13-15,18H,7-10,12H2,1H3,(H2,24,25,26)
InChIKeyDIZQBPBNHXYBTN-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.38
Rot. Bonds4

About 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone

1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone (PubChem CID 92618153) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
PubChem CID92618153
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
SMILESCc1cc(-c2cnc(N)nc2)cc(C2CCN(C(=O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H25N5O/c1-16-11-19(20-14-25-23(24)26-15-20)13-21(27-16)18-7-9-28(10-8-18)22(29)12-17-5-3-2-4-6-17/h2-6,11,13-15,18H,7-10,12H2,1H3,(H2,24,25,26)
InChIKeyDIZQBPBNHXYBTN-UHFFFAOYSA-N
XLogP3.38
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
2-(3,4-dimethoxyphenyl)-1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110091968
1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone
CID 92617268
1-[2-[2-[(3R)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834632
2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 92617154
2-(2-amino-1,3-benzothiazol-6-yl)-1-[(3S)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 95834637
1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95828832
5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252509
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one
CID 110091965
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone (CID 92618153) is 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone is Cc1cc(-c2cnc(N)nc2)cc(C2CCN(C(=O)Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is DIZQBPBNHXYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-11-19(20-14-25-23(24)26-15-20)13-21(27-16)18-7-9-28(10-8-18)22(29)12-17-5-3-2-4-6-17/h2-6,11,13-15,18H,7-10,12H2,1H3,(H2,24,25,26).
What are the key properties of 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 387.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 92618153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).