1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one

C22H30N6O2 — CID 110092846

IUPAC1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(CCC(=O)N2CCOC(c3ncncc3-c3ccnc(N)c3)C2)CC1
InChIInChI=1S/C22H30N6O2/c1-16-3-7-27(8-4-16)9-5-21(29)28-10-11-30-19(14-28)22-18(13-24-15-26-22)17-2-6-25-20(23)12-17/h2,6,12-13,15-16,19H,3-5,7-11,14H2,1H3,(H2,23,25)
InChIKeyGYDYSBORZLBUMC-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one

1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 110092846) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID110092846
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(CCC(=O)N2CCOC(c3ncncc3-c3ccnc(N)c3)C2)CC1
InChIInChI=1S/C22H30N6O2/c1-16-3-7-27(8-4-16)9-5-21(29)28-10-11-30-19(14-28)22-18(13-24-15-26-22)17-2-6-25-20(23)12-17/h2,6,12-13,15-16,19H,3-5,7-11,14H2,1H3,(H2,23,25)
InChIKeyGYDYSBORZLBUMC-UHFFFAOYSA-N
XLogP2.14
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone
CID 95830957
1-[(3S)-3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 125013341
3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide
CID 127250335
1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 127248630
4-[4-[(2R)-4-(quinolin-8-ylmethyl)morpholin-2-yl]pyrimidin-5-yl]pyridin-2-amine
CID 95830959
1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 110130603
4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
CID 125011261
1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one
CID 125000862
1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 126468602
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one
CID 127250547
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one (CID 110092846) is 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(CCC(=O)N2CCOC(c3ncncc3-c3ccnc(N)c3)C2)CC1.
What is the InChIKey of 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is GYDYSBORZLBUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-16-3-7-27(8-4-16)9-5-21(29)28-10-11-30-19(14-28)22-18(13-24-15-26-22)17-2-6-25-20(23)12-17/h2,6,12-13,15-16,19H,3-5,7-11,14H2,1H3,(H2,23,25).
What are the key properties of 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one?
1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 410.52 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110092846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).