1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C22H26N8O2 — CID 157388612

IUPAC1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1
InChIInChI=1S/C22H26N8O2/c1-32-21-15(11-27-22(25)29-21)17-5-4-16(24)20(28-17)19(31)9-13-10-26-7-6-18(13)30-8-2-3-14(23)12-30/h4-7,10-11,14H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,29)/t14-/m0/s1
InChIKeyMNEJMUJOUYAPRU-AWEZNQCLSA-N
MW434.50 g/mol
LogP1.46
Rot. Bonds6

About 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 157388612) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID157388612
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1
InChIInChI=1S/C22H26N8O2/c1-32-21-15(11-27-22(25)29-21)17-5-4-16(24)20(28-17)19(31)9-13-10-26-7-6-18(13)30-8-2-3-14(23)12-30/h4-7,10-11,14H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,29)/t14-/m0/s1
InChIKeyMNEJMUJOUYAPRU-AWEZNQCLSA-N
XLogP1.46
TPSA159.16 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 157388612) is 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is COc1nc(N)ncc1-c1ccc(N)c(C(=O)Cc2cnccc2N2CCC[C@H](N)C2)n1.
What is the InChIKey of 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is MNEJMUJOUYAPRU-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-32-21-15(11-27-22(25)29-21)17-5-4-16(24)20(28-17)19(31)9-13-10-26-7-6-18(13)30-8-2-3-14(23)12-30/h4-7,10-11,14H,2-3,8-9,12,23-24H2,1H3,(H2,25,27,29)/t14-/m0/s1.
What are the key properties of 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 434.50 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-amino-4-methoxypyrimidin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 157388612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).