[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

C14H22N4O2 — CID 109365559

IUPAC[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(NC(C)(C)C)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C14H22N4O2/c1-10-15-11(9-12(16-10)17-14(2,3)4)13(19)18-5-7-20-8-6-18/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyJZDWMGNNRMYFIK-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.47
Rot. Bonds2

About [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109365559) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109365559
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(NC(C)(C)C)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C14H22N4O2/c1-10-15-11(9-12(16-10)17-14(2,3)4)13(19)18-5-7-20-8-6-18/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyJZDWMGNNRMYFIK-UHFFFAOYSA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367340
[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538795
[6-(3-ethoxypropylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538800
[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538802
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365583
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365513
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604
[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109360380
[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538840

Frequently Asked Questions

What is the IUPAC name of [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109365559) is [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1nc(NC(C)(C)C)cc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JZDWMGNNRMYFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-15-11(9-12(16-10)17-14(2,3)4)13(19)18-5-7-20-8-6-18/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 278.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109365559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).