[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone

C16H20N4O3 — CID 75538802

IUPAC[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(NCc2ccc(C)o2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H20N4O3/c1-11-3-4-13(23-11)10-17-15-9-14(18-12(2)19-15)16(21)20-5-7-22-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,17,18,19)
InChIKeyQEQPBYILNJNTEY-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.77
Rot. Bonds4

About [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 75538802) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID75538802
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(NCc2ccc(C)o2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H20N4O3/c1-11-3-4-13(23-11)10-17-15-9-14(18-12(2)19-15)16(21)20-5-7-22-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,17,18,19)
InChIKeyQEQPBYILNJNTEY-UHFFFAOYSA-N
XLogP1.77
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538795
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365559
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533
[6-(3-ethoxypropylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538800
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367950
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365583
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
azepan-1-yl-[6-(1,3-benzodioxol-5-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109370505
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853478
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367301
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 75538802) is [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1nc(NCc2ccc(C)o2)cc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is QEQPBYILNJNTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-3-4-13(23-11)10-17-15-9-14(18-12(2)19-15)16(21)20-5-7-22-8-6-20/h3-4,9H,5-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 316.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75538802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).